3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(furan-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-phenylbenzamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-2-carboxylate

C142H162ClN21O11 — CID 157285881

IUPAC3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(furan-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-phenylbenzamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-2-carboxylate
SMILESCC(=O)N1CCC(CN2C(=O)C(c3ccccc3)(c3cccc(-c4cccnc4)c3)N=C2N)CC1.CCOC(=O)C1CCCCN1C(=O)c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccc(-c4ccccc4)cc3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](Nc3ccc4ccccc4n3)C2)N=C1N.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1Cc1ccco1
InChIInChI=1S/C32H42N4O2.C31H32N4O4.C28H29N5O2.C28H39N5O.C23H20ClN3O2/c1-36-30(38)32(35-31(36)33,20-19-23-9-4-2-5-10-23)22-24-11-8-14-28(21-24)34-29(37)27-17-15-26(16-18-27)25-12-6-3-7-13-25;1-2-39-28(37)26-18-9-10-19-34(26)27(36)23-13-11-12-22(20-23)21-35-29(38)31(33-30(35)32,24-14-5-3-6-15-24)25-16-7-4-8-17-25;1-20(34)32-15-12-21(13-16-32)19-33-26(35)28(31-27(33)29,24-9-3-2-4-10-24)25-11-5-7-22(17-25)23-8-6-14-30-18-23;1-33-26(34)28(32-27(33)29,17-16-20-8-3-2-4-9-20)19-21-10-7-12-23(18-21)30-25-15-14-22-11-5-6-13-24(22)31-25;24-19-7-2-5-16(13-19)15-4-1-6-18(12-15)23(17-9-10-17)21(28)27(22(25)26-23)14-20-8-3-11-29-20/h3,6-7,12-13,15-18,23-24,28H,2,4-5,8-11,14,19-22H2,1H3,(H2,33,35)(H,34,37);3-8,11-17,20,26H,2,9-10,18-19,21H2,1H3,(H2,32,33);2-11,14,17-18,21H,12-13,15-16,19H2,1H3,(H2,29,31);5-6,11,13-15,20-21,23H,2-4,7-10,12,16-19H2,1H3,(H2,29,32)(H,30,31);1-8,11-13,17H,9-10,14H2,(H2,25,26)/t24-,28+,32+;;;21-,23+,28+;/m0..0./s1
InChIKeyBAFNPVUFLLCUHF-RYIBELSWSA-N
MW2374.45 g/mol
LogP23.22
Rot. Bonds32

About 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(furan-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-phenylbenzamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-2-carboxylate

3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(furan-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-phenylbenzamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-2-carboxylate (PubChem CID 157285881) has the molecular formula C142H162ClN21O11 and a molecular weight of 2374.45 g/mol. Its IUPAC name is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(furan-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-phenylbenzamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Name3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(furan-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-phenylbenzamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-2-carboxylate
PubChem CID157285881
Molecular FormulaC142H162ClN21O11
Molecular Weight2374.45 g/mol
Exact Mass2372.25
IUPAC Name3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(furan-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-phenylbenzamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-2-carboxylate
SMILESCC(=O)N1CCC(CN2C(=O)C(c3ccccc3)(c3cccc(-c4cccnc4)c3)N=C2N)CC1.CCOC(=O)C1CCCCN1C(=O)c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccc(-c4ccccc4)cc3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](Nc3ccc4ccccc4n3)C2)N=C1N.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1Cc1ccco1
InChIInChI=1S/C32H42N4O2.C31H32N4O4.C28H29N5O2.C28H39N5O.C23H20ClN3O2/c1-36-30(38)32(35-31(36)33,20-19-23-9-4-2-5-10-23)22-24-11-8-14-28(21-24)34-29(37)27-17-15-26(16-18-27)25-12-6-3-7-13-25;1-2-39-28(37)26-18-9-10-19-34(26)27(36)23-13-11-12-22(20-23)21-35-29(38)31(33-30(35)32,24-14-5-3-6-15-24)25-16-7-4-8-17-25;1-20(34)32-15-12-21(13-16-32)19-33-26(35)28(31-27(33)29,24-9-3-2-4-10-24)25-11-5-7-22(17-25)23-8-6-14-30-18-23;1-33-26(34)28(32-27(33)29,17-16-20-8-3-2-4-9-20)19-21-10-7-12-23(18-21)30-25-15-14-22-11-5-6-13-24(22)31-25;24-19-7-2-5-16(13-19)15-4-1-6-18(12-15)23(17-9-10-17)21(28)27(22(25)26-23)14-20-8-3-11-29-20/h3,6-7,12-13,15-18,23-24,28H,2,4-5,8-11,14,19-22H2,1H3,(H2,33,35)(H,34,37);3-8,11-17,20,26H,2,9-10,18-19,21H2,1H3,(H2,32,33);2-11,14,17-18,21H,12-13,15-16,19H2,1H3,(H2,29,31);5-6,11,13-15,20-21,23H,2-4,7-10,12,16-19H2,1H3,(H2,29,32)(H,30,31);1-8,11-13,17H,9-10,14H2,(H2,25,26)/t24-,28+,32+;;;21-,23+,28+;/m0..0./s1
InChIKeyBAFNPVUFLLCUHF-RYIBELSWSA-N
XLogP23.22
TPSA440.42 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds32
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002374.45
LogP ≤ 523.22
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(furan-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-phenylbenzamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(furan-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-phenylbenzamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-2-carboxylate?
The IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(furan-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-phenylbenzamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-2-carboxylate (CID 157285881) is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(furan-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-phenylbenzamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-2-carboxylate.
What is the SMILES notation for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(furan-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-phenylbenzamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-2-carboxylate?
The canonical SMILES for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(furan-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-phenylbenzamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-2-carboxylate is CC(=O)N1CCC(CN2C(=O)C(c3ccccc3)(c3cccc(-c4cccnc4)c3)N=C2N)CC1.CCOC(=O)C1CCCCN1C(=O)c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccc(-c4ccccc4)cc3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](Nc3ccc4ccccc4n3)C2)N=C1N.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1Cc1ccco1.
What is the InChIKey of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(furan-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-phenylbenzamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-2-carboxylate?
The InChIKey is BAFNPVUFLLCUHF-RYIBELSWSA-N. The full InChI is InChI=1S/C32H42N4O2.C31H32N4O4.C28H29N5O2.C28H39N5O.C23H20ClN3O2/c1-36-30(38)32(35-31(36)33,20-19-23-9-4-2-5-10-23)22-24-11-8-14-28(21-24)34-29(37)27-17-15-26(16-18-27)25-12-6-3-7-13-25;1-2-39-28(37)26-18-9-10-19-34(26)27(36)23-13-11-12-22(20-23)21-35-29(38)31(33-30(35)32,24-14-5-3-6-15-24)25-16-7-4-8-17-25;1-20(34)32-15-12-21(13-16-32)19-33-26(35)28(31-27(33)29,24-9-3-2-4-10-24)25-11-5-7-22(17-25)23-8-6-14-30-18-23;1-33-26(34)28(32-27(33)29,17-16-20-8-3-2-4-9-20)19-21-10-7-12-23(18-21)30-25-15-14-22-11-5-6-13-24(22)31-25;24-19-7-2-5-16(13-19)15-4-1-6-18(12-15)23(17-9-10-17)21(28)27(22(25)26-23)14-20-8-3-11-29-20/h3,6-7,12-13,15-18,23-24,28H,2,4-5,8-11,14,19-22H2,1H3,(H2,33,35)(H,34,37);3-8,11-17,20,26H,2,9-10,18-19,21H2,1H3,(H2,32,33);2-11,14,17-18,21H,12-13,15-16,19H2,1H3,(H2,29,31);5-6,11,13-15,20-21,23H,2-4,7-10,12,16-19H2,1H3,(H2,29,32)(H,30,31);1-8,11-13,17H,9-10,14H2,(H2,25,26)/t24-,28+,32+;;;21-,23+,28+;/m0..0./s1.
What are the key properties of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(furan-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-phenylbenzamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-2-carboxylate?
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(furan-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-phenylbenzamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-2-carboxylate has a molecular weight of 2374.45 g/mol, XLogP of 23.22, 32 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(furan-2-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-phenylbenzamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-2-carboxylate is sourced from PubChem (CID 157285881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).