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-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide

C105H107BrN16O9 — CID 157346888

IUPAC3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[(1-phenylethylamino)methyl]phenyl]phenyl]-5-methylimidazol-4-one;2-amino-5-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)cc1.CN1C(=O)C(C)(c2cncc(Br)c2)N=C1N.COc1ccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)cc1OCc1ccccc1.COc1ccc(CNC(C)c2ccccc2)c(-c2cccc(C3(C)N=C(N)N(CC4CCN(C(C)=O)CC4)C3=O)c2)c1
InChIInChI=1S/C34H41N5O3.C31H28N4O2.C30H27N3O3.C10H11BrN4O/c1-23(26-9-6-5-7-10-26)36-21-28-13-14-30(42-4)20-31(28)27-11-8-12-29(19-27)34(3)32(41)39(33(35)37-34)22-25-15-17-38(18-16-25)24(2)40;1-2-33-28(36)24-18-16-23(17-19-24)25-11-9-10-22(20-25)21-35-29(37)31(34-30(35)32,26-12-5-3-6-13-26)27-14-7-4-8-15-27;1-33-28(34)30(32-29(33)31,24-13-7-4-8-14-24)25-15-9-12-22(18-25)23-16-17-26(35-2)27(19-23)36-20-21-10-5-3-6-11-21;1-10(6-3-7(11)5-13-4-6)8(16)15(2)9(12)14-10/h5-14,19-20,23,25,36H,15-18,21-22H2,1-4H3,(H2,35,37);3-20H,2,21H2,1H3,(H2,32,34)(H,33,36);3-19H,20H2,1-2H3,(H2,31,32);3-5H,1-2H3,(H2,12,14)
InChIKeyBHBQKUJNLYKCSD-UHFFFAOYSA-N
MW1817.02 g/mol
LogP15.37
Rot. Bonds24

About 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-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide

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-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide (PubChem CID 157346888) has the molecular formula C105H107BrN16O9 and a molecular weight of 1817.02 g/mol. Its IUPAC name is 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-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[(1-phenylethylamino)methyl]phenyl]phenyl]-5-methylimidazol-4-one;2-amino-5-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide
PubChem CID157346888
Molecular FormulaC105H107BrN16O9
Molecular Weight1817.02 g/mol
Exact Mass1814.76
IUPAC Name3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[(1-phenylethylamino)methyl]phenyl]phenyl]-5-methylimidazol-4-one;2-amino-5-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)cc1.CN1C(=O)C(C)(c2cncc(Br)c2)N=C1N.COc1ccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)cc1OCc1ccccc1.COc1ccc(CNC(C)c2ccccc2)c(-c2cccc(C3(C)N=C(N)N(CC4CCN(C(C)=O)CC4)C3=O)c2)c1
InChIInChI=1S/C34H41N5O3.C31H28N4O2.C30H27N3O3.C10H11BrN4O/c1-23(26-9-6-5-7-10-26)36-21-28-13-14-30(42-4)20-31(28)27-11-8-12-29(19-27)34(3)32(41)39(33(35)37-34)22-25-15-17-38(18-16-25)24(2)40;1-2-33-28(36)24-18-16-23(17-19-24)25-11-9-10-22(20-25)21-35-29(37)31(34-30(35)32,26-12-5-3-6-13-26)27-14-7-4-8-15-27;1-33-28(34)30(32-29(33)31,24-13-7-4-8-14-24)25-15-9-12-22(18-25)23-16-17-26(35-2)27(19-23)36-20-21-10-5-3-6-11-21;1-10(6-3-7(11)5-13-4-6)8(16)15(2)9(12)14-10/h5-14,19-20,23,25,36H,15-18,21-22H2,1-4H3,(H2,35,37);3-20H,2,21H2,1H3,(H2,32,34)(H,33,36);3-19H,20H2,1-2H3,(H2,31,32);3-5H,1-2H3,(H2,12,14)
InChIKeyBHBQKUJNLYKCSD-UHFFFAOYSA-N
XLogP15.37
TPSA336.78 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds24
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001817.02
LogP ≤ 515.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze 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-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide with MolForge

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Related Compounds

3-[(1-Acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]imidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;2-amino-5-(3-bromophenyl)-5-ethyl-3-methylimidazol-4-one;2-amino-5-[3-(2-chloro-5-fluoro-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one
CID 157058533
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-[[3-(2-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-5-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-3-[7-(3-chlorophenyl)-6-oxoheptyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide
CID 159739739
4-[(1-acetylpiperidin-4-yl)methyl]-13-methoxy-2-methyl-7-phenyl-4,6,8,21-tetrazatetracyclo[14.3.1.12,5.010,15]henicosa-1(19),5,10(15),11,13,16(20),17-heptaen-3-one;2-amino-5-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-5,5-diphenyl-3-(2-pyridin-3-ylethyl)imidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide
CID 161879384

Frequently Asked Questions

What is the IUPAC name of 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-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide?
The IUPAC name of 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-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide (CID 157346888) is 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-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide.
What is the SMILES notation for 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-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide?
The canonical SMILES for 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-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide is CCNC(=O)c1ccc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)cc1.CN1C(=O)C(C)(c2cncc(Br)c2)N=C1N.COc1ccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)cc1OCc1ccccc1.COc1ccc(CNC(C)c2ccccc2)c(-c2cccc(C3(C)N=C(N)N(CC4CCN(C(C)=O)CC4)C3=O)c2)c1.
What is the InChIKey of 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-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide?
The InChIKey is BHBQKUJNLYKCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N5O3.C31H28N4O2.C30H27N3O3.C10H11BrN4O/c1-23(26-9-6-5-7-10-26)36-21-28-13-14-30(42-4)20-31(28)27-11-8-12-29(19-27)34(3)32(41)39(33(35)37-34)22-25-15-17-38(18-16-25)24(2)40;1-2-33-28(36)24-18-16-23(17-19-24)25-11-9-10-22(20-25)21-35-29(37)31(34-30(35)32,26-12-5-3-6-13-26)27-14-7-4-8-15-27;1-33-28(34)30(32-29(33)31,24-13-7-4-8-14-24)25-15-9-12-22(18-25)23-16-17-26(35-2)27(19-23)36-20-21-10-5-3-6-11-21;1-10(6-3-7(11)5-13-4-6)8(16)15(2)9(12)14-10/h5-14,19-20,23,25,36H,15-18,21-22H2,1-4H3,(H2,35,37);3-20H,2,21H2,1H3,(H2,32,34)(H,33,36);3-19H,20H2,1-2H3,(H2,31,32);3-5H,1-2H3,(H2,12,14).
What are the key properties of 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-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide?
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-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide has a molecular weight of 1817.02 g/mol, XLogP of 15.37, 24 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide is sourced from PubChem (CID 157346888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).