(5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]methanesulfonamide

C41H39ClN8O4S — CID 157237121

IUPAC(5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]methanesulfonamide
SMILESCN1C(=O)[C@](c2cccc(-c3cncc(Cl)c3)c2)(C2CC2)N=C1N.CS(=O)(=O)Nc1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1
InChIInChI=1S/C23H22N4O3S.C18H17ClN4O/c1-31(29,30)26-20-14-8-9-17(15-20)16-27-21(28)23(25-22(27)24,18-10-4-2-5-11-18)19-12-6-3-7-13-19;1-23-16(24)18(13-5-6-13,22-17(23)20)14-4-2-3-11(7-14)12-8-15(19)10-21-9-12/h2-15,26H,16H2,1H3,(H2,24,25);2-4,7-10,13H,5-6H2,1H3,(H2,20,22)/t;18-/m.1/s1
InChIKeyAUTNWLZZKSXDEZ-GRCRRGHYSA-N
MW775.34 g/mol
LogP5.45
Rot. Bonds9

About (5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]methanesulfonamide

(5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]methanesulfonamide (PubChem CID 157237121) has the molecular formula C41H39ClN8O4S and a molecular weight of 775.34 g/mol. Its IUPAC name is (5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name(5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]methanesulfonamide
PubChem CID157237121
Molecular FormulaC41H39ClN8O4S
Molecular Weight775.34 g/mol
Exact Mass774.25
IUPAC Name(5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]methanesulfonamide
SMILESCN1C(=O)[C@](c2cccc(-c3cncc(Cl)c3)c2)(C2CC2)N=C1N.CS(=O)(=O)Nc1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1
InChIInChI=1S/C23H22N4O3S.C18H17ClN4O/c1-31(29,30)26-20-14-8-9-17(15-20)16-27-21(28)23(25-22(27)24,18-10-4-2-5-11-18)19-12-6-3-7-13-19;1-23-16(24)18(13-5-6-13,22-17(23)20)14-4-2-3-11(7-14)12-8-15(19)10-21-9-12/h2-15,26H,16H2,1H3,(H2,24,25);2-4,7-10,13H,5-6H2,1H3,(H2,20,22)/t;18-/m.1/s1
InChIKeyAUTNWLZZKSXDEZ-GRCRRGHYSA-N
XLogP5.45
TPSA176.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.34
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]methanesulfonamide with MolForge

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Related Compounds

[3-[2-Amino-4-[3-(5-chloro-2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]methanesulfonic acid
CID 87749054
1-[3-[2-Amino-4-[3-(5-chloro-2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]propane-1-sulfonic acid
CID 87749663
3-[3-[2-Amino-4-[3-(5-chloro-2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]propane-1-sulfonic acid
CID 87749665
1-[3-[2-Amino-4-[3-(5-chloro-2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]cyclopropane-1-sulfonic acid
CID 87749826
2-Amino-3-[[3-(2-chloro-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one
CID 59387962
2-Amino-3-[[3-(1,1-dioxothiazinan-2-yl)phenyl]methyl]-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 59388372
2-Amino-3-[[3-(2-chloro-4-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one
CID 59388644
2-Amino-3-[[3-(6-chloro-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one
CID 59388822
[4-[2-Amino-4-[3-(2-chloro-4-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]methanesulfonic acid
CID 87747622
(5R)-2-amino-3-[[4-[[(4S)-4-butyl-2-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(methylamino)cyclohexyl]methyl]imidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-phenylurea;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one
CID 157338702
2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one
CID 158233895
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-methylpropyl)imidazol-4-one;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-2-carboxamide
CID 158784803

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]methanesulfonamide?
The IUPAC name of (5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]methanesulfonamide (CID 157237121) is (5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]methanesulfonamide.
What is the SMILES notation for (5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]methanesulfonamide?
The canonical SMILES for (5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]methanesulfonamide is CN1C(=O)[C@](c2cccc(-c3cncc(Cl)c3)c2)(C2CC2)N=C1N.CS(=O)(=O)Nc1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.
What is the InChIKey of (5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]methanesulfonamide?
The InChIKey is AUTNWLZZKSXDEZ-GRCRRGHYSA-N. The full InChI is InChI=1S/C23H22N4O3S.C18H17ClN4O/c1-31(29,30)26-20-14-8-9-17(15-20)16-27-21(28)23(25-22(27)24,18-10-4-2-5-11-18)19-12-6-3-7-13-19;1-23-16(24)18(13-5-6-13,22-17(23)20)14-4-2-3-11(7-14)12-8-15(19)10-21-9-12/h2-15,26H,16H2,1H3,(H2,24,25);2-4,7-10,13H,5-6H2,1H3,(H2,20,22)/t;18-/m.1/s1.
What are the key properties of (5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]methanesulfonamide?
(5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]methanesulfonamide has a molecular weight of 775.34 g/mol, XLogP of 5.45, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 157237121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).