3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-methoxybenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylbenzamide;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide

C149H171Cl3N24O11 — CID 159689287

IUPAC3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-methoxybenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylbenzamide;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide
SMILESCC(=O)N1CCC(CN2C(=O)C(c3cccc(-c4cccc(Cl)c4)c3)(C3CC3)N=C2N)CC1.CCCN(CCC)C(=O)c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.CCCN(CCC)C(=O)c1ccnc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.CN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CCC2)N=C1N.CN1C(=O)C(c2cccc(-c3cncc(Cl)c3)c2)(C2CCC2)N=C1N.COc1ccc(C(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)cc1
InChIInChI=1S/C29H32N4O2.C28H31N5O2.C27H40N4O3.C26H29ClN4O2.C20H20ClN3O.C19H19ClN4O/c1-3-18-32(19-4-2)26(34)23-13-11-12-22(20-23)21-33-27(35)29(31-28(33)30,24-14-7-5-8-15-24)25-16-9-6-10-17-25;1-3-17-32(18-4-2)25(34)21-15-16-30-24(19-21)20-33-26(35)28(31-27(33)29,22-11-7-5-8-12-22)23-13-9-6-10-14-23;1-31-25(33)27(30-26(31)28,16-15-19-7-4-3-5-8-19)18-20-9-6-10-22(17-20)29-24(32)21-11-13-23(34-2)14-12-21;1-17(32)30-12-10-18(11-13-30)16-31-24(33)26(21-8-9-21,29-25(31)28)22-6-2-4-19(14-22)20-5-3-7-23(27)15-20;1-24-18(25)20(23-19(24)22,15-7-4-8-15)16-9-2-5-13(11-16)14-6-3-10-17(21)12-14;1-24-17(25)19(23-18(24)21,14-5-3-6-14)15-7-2-4-12(8-15)13-9-16(20)11-22-10-13/h5-17,20H,3-4,18-19,21H2,1-2H3,(H2,30,31);5-16,19H,3-4,17-18,20H2,1-2H3,(H2,29,31);11-14,19-20,22H,3-10,15-18H2,1-2H3,(H2,28,30)(H,29,32);2-7,14-15,18,21H,8-13,16H2,1H3,(H2,28,29);2-3,5-6,9-12,15H,4,7-8H2,1H3,(H2,22,23);2,4,7-11,14H,3,5-6H2,1H3,(H2,21,23)/t;;20-,22+,27+;;;/m..0.../s1
InChIKeyMWEYRBMSJGXDRW-NPLRRWOPSA-N
MW2580.52 g/mol
LogP23.75
Rot. Bonds37

About 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-methoxybenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylbenzamide;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide

3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-methoxybenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylbenzamide;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide (PubChem CID 159689287) has the molecular formula C149H171Cl3N24O11 and a molecular weight of 2580.52 g/mol. Its IUPAC name is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-methoxybenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylbenzamide;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-methoxybenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylbenzamide;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide
PubChem CID159689287
Molecular FormulaC149H171Cl3N24O11
Molecular Weight2580.52 g/mol
Exact Mass2577.26
IUPAC Name3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-methoxybenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylbenzamide;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide
SMILESCC(=O)N1CCC(CN2C(=O)C(c3cccc(-c4cccc(Cl)c4)c3)(C3CC3)N=C2N)CC1.CCCN(CCC)C(=O)c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.CCCN(CCC)C(=O)c1ccnc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.CN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CCC2)N=C1N.CN1C(=O)C(c2cccc(-c3cncc(Cl)c3)c2)(C2CCC2)N=C1N.COc1ccc(C(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)cc1
InChIInChI=1S/C29H32N4O2.C28H31N5O2.C27H40N4O3.C26H29ClN4O2.C20H20ClN3O.C19H19ClN4O/c1-3-18-32(19-4-2)26(34)23-13-11-12-22(20-23)21-33-27(35)29(31-28(33)30,24-14-7-5-8-15-24)25-16-9-6-10-17-25;1-3-17-32(18-4-2)25(34)21-15-16-30-24(19-21)20-33-26(35)28(31-27(33)29,22-11-7-5-8-12-22)23-13-9-6-10-14-23;1-31-25(33)27(30-26(31)28,16-15-19-7-4-3-5-8-19)18-20-9-6-10-22(17-20)29-24(32)21-11-13-23(34-2)14-12-21;1-17(32)30-12-10-18(11-13-30)16-31-24(33)26(21-8-9-21,29-25(31)28)22-6-2-4-19(14-22)20-5-3-7-23(27)15-20;1-24-18(25)20(23-19(24)22,15-7-4-8-15)16-9-2-5-13(11-16)14-6-3-10-17(21)12-14;1-24-17(25)19(23-18(24)21,14-5-3-6-14)15-7-2-4-12(8-15)13-9-16(20)11-22-10-13/h5-17,20H,3-4,18-19,21H2,1-2H3,(H2,30,31);5-16,19H,3-4,17-18,20H2,1-2H3,(H2,29,31);11-14,19-20,22H,3-10,15-18H2,1-2H3,(H2,28,30)(H,29,32);2-7,14-15,18,21H,8-13,16H2,1H3,(H2,28,29);2-3,5-6,9-12,15H,4,7-8H2,1H3,(H2,22,23);2,4,7-11,14H,3,5-6H2,1H3,(H2,21,23)/t;;20-,22+,27+;;;/m..0.../s1
InChIKeyMWEYRBMSJGXDRW-NPLRRWOPSA-N
XLogP23.75
TPSA477.18 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds37
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002580.52
LogP ≤ 523.75
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Analyze 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-methoxybenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylbenzamide;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide with MolForge

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Related Compounds

(6S)-2-amino-6-[3-(3-chlorophenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-methoxyphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 157428429
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[(1-phenylethylamino)methyl]phenyl]phenyl]-5-methylimidazol-4-one;2-amino-5-[3-[3-(2-aminoethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-(2-pyridin-3-ylethyl)imidazol-4-one;3-[[2-amino-4-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-1-yl]methyl]-N,N-dipropylbenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 157772672
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-oxidopyridin-1-ium-3-carboxamide;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 158000677
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-1-oxidopyridin-1-ium-3-yl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(cyclopropylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-hydroxyethyl)imidazol-4-one;2-amino-5-[3-(6-chloropyrazin-2-yl)phenyl]-3-methyl-5-phenylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-5-methylpyridine-3-carboxamide
CID 158550589
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-ethoxyethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzamide;2-amino-5,5-diphenyl-3-[[(3S)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one;2-amino-5,5-diphenyl-3-[[(3R)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one
CID 158710219
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-chloro-6-methylpyridine-4-carboxamide;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(4-chlorophenyl)urea;5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine;2,5-dimethyl-5-(3-pyridin-3-ylphenyl)-6H-1,2,4-oxadiazin-3-amine;5-[3-(3-methoxyphenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine
CID 160582559
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-propan-2-ylphenyl)phenyl]imidazol-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-4-methoxybenzamide;2-amino-5,5-diphenyl-3-pyrrolidin-1-ylimidazol-4-one;2-amino-3-(3-ethoxypropyl)-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-4-ylphenyl)-3,5-dimethylimidazol-4-one;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-methylbenzamide
CID 161385175
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-3-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide
CID 162131838

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-methoxybenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylbenzamide;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide?
The IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-methoxybenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylbenzamide;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide (CID 159689287) is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-methoxybenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylbenzamide;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide.
What is the SMILES notation for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-methoxybenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylbenzamide;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide?
The canonical SMILES for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-methoxybenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylbenzamide;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide is CC(=O)N1CCC(CN2C(=O)C(c3cccc(-c4cccc(Cl)c4)c3)(C3CC3)N=C2N)CC1.CCCN(CCC)C(=O)c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.CCCN(CCC)C(=O)c1ccnc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.CN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CCC2)N=C1N.CN1C(=O)C(c2cccc(-c3cncc(Cl)c3)c2)(C2CCC2)N=C1N.COc1ccc(C(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)N=C(N)N(C)C3=O)C2)cc1.
What is the InChIKey of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-methoxybenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylbenzamide;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide?
The InChIKey is MWEYRBMSJGXDRW-NPLRRWOPSA-N. The full InChI is InChI=1S/C29H32N4O2.C28H31N5O2.C27H40N4O3.C26H29ClN4O2.C20H20ClN3O.C19H19ClN4O/c1-3-18-32(19-4-2)26(34)23-13-11-12-22(20-23)21-33-27(35)29(31-28(33)30,24-14-7-5-8-15-24)25-16-9-6-10-17-25;1-3-17-32(18-4-2)25(34)21-15-16-30-24(19-21)20-33-26(35)28(31-27(33)29,22-11-7-5-8-12-22)23-13-9-6-10-14-23;1-31-25(33)27(30-26(31)28,16-15-19-7-4-3-5-8-19)18-20-9-6-10-22(17-20)29-24(32)21-11-13-23(34-2)14-12-21;1-17(32)30-12-10-18(11-13-30)16-31-24(33)26(21-8-9-21,29-25(31)28)22-6-2-4-19(14-22)20-5-3-7-23(27)15-20;1-24-18(25)20(23-19(24)22,15-7-4-8-15)16-9-2-5-13(11-16)14-6-3-10-17(21)12-14;1-24-17(25)19(23-18(24)21,14-5-3-6-14)15-7-2-4-12(8-15)13-9-16(20)11-22-10-13/h5-17,20H,3-4,18-19,21H2,1-2H3,(H2,30,31);5-16,19H,3-4,17-18,20H2,1-2H3,(H2,29,31);11-14,19-20,22H,3-10,15-18H2,1-2H3,(H2,28,30)(H,29,32);2-7,14-15,18,21H,8-13,16H2,1H3,(H2,28,29);2-3,5-6,9-12,15H,4,7-8H2,1H3,(H2,22,23);2,4,7-11,14H,3,5-6H2,1H3,(H2,21,23)/t;;20-,22+,27+;;;/m..0.../s1.
What are the key properties of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-methoxybenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylbenzamide;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide?
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-methoxybenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylbenzamide;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide has a molecular weight of 2580.52 g/mol, XLogP of 23.75, 37 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-methoxybenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylbenzamide;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide is sourced from PubChem (CID 159689287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).