2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-chlorophenyl)methyl]-N-methylpyridine-4-carboxamide

C30H26ClN5O2 — CID 135154307

IUPAC2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-chlorophenyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1ccnc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1
InChIInChI=1S/C30H26ClN5O2/c1-35(19-21-12-14-25(31)15-13-21)27(37)22-16-17-33-26(18-22)20-36-28(38)30(34-29(36)32,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-18H,19-20H2,1H3,(H2,32,34)
InChIKeyHWOTXLWQGKIQLY-UHFFFAOYSA-N
MW524.02 g/mol
LogP4.61
Rot. Bonds7

About 2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-chlorophenyl)methyl]-N-methylpyridine-4-carboxamide

2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-chlorophenyl)methyl]-N-methylpyridine-4-carboxamide (PubChem CID 135154307) has the molecular formula C30H26ClN5O2 and a molecular weight of 524.02 g/mol. Its IUPAC name is 2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-chlorophenyl)methyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-chlorophenyl)methyl]-N-methylpyridine-4-carboxamide
PubChem CID135154307
Molecular FormulaC30H26ClN5O2
Molecular Weight524.02 g/mol
Exact Mass523.18
IUPAC Name2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-chlorophenyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1ccnc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1
InChIInChI=1S/C30H26ClN5O2/c1-35(19-21-12-14-25(31)15-13-21)27(37)22-16-17-33-26(18-22)20-36-28(38)30(34-29(36)32,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-18H,19-20H2,1H3,(H2,32,34)
InChIKeyHWOTXLWQGKIQLY-UHFFFAOYSA-N
XLogP4.61
TPSA91.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.02
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-chlorophenyl)methyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-chlorophenyl)methyl]-N-methylpyridine-4-carboxamide (CID 135154307) is 2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-chlorophenyl)methyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-chlorophenyl)methyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-chlorophenyl)methyl]-N-methylpyridine-4-carboxamide is CN(Cc1ccc(Cl)cc1)C(=O)c1ccnc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.
What is the InChIKey of 2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-chlorophenyl)methyl]-N-methylpyridine-4-carboxamide?
The InChIKey is HWOTXLWQGKIQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClN5O2/c1-35(19-21-12-14-25(31)15-13-21)27(37)22-16-17-33-26(18-22)20-36-28(38)30(34-29(36)32,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-18H,19-20H2,1H3,(H2,32,34).
What are the key properties of 2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-chlorophenyl)methyl]-N-methylpyridine-4-carboxamide?
2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-chlorophenyl)methyl]-N-methylpyridine-4-carboxamide has a molecular weight of 524.02 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-chlorophenyl)methyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 135154307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).