5-amino-N-(4-chlorophenyl)-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide

C15H13ClN4O2 — CID 110874390

IUPAC5-amino-N-(4-chlorophenyl)-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide
SMILESCc1cc2c(cc1N)[nH]c(=O)n2C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN4O2/c1-8-6-13-12(7-11(8)17)19-15(22)20(13)14(21)18-10-4-2-9(16)3-5-10/h2-7H,17H2,1H3,(H,18,21)(H,19,22)
InChIKeyZNKXQYUORJGDEJ-UHFFFAOYSA-N
MW316.75 g/mol
LogP2.95
Rot. Bonds1

About 5-amino-N-(4-chlorophenyl)-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide

5-amino-N-(4-chlorophenyl)-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide (PubChem CID 110874390) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is 5-amino-N-(4-chlorophenyl)-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-chlorophenyl)-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide
PubChem CID110874390
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC Name5-amino-N-(4-chlorophenyl)-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide
SMILESCc1cc2c(cc1N)[nH]c(=O)n2C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN4O2/c1-8-6-13-12(7-11(8)17)19-15(22)20(13)14(21)18-10-4-2-9(16)3-5-10/h2-7H,17H2,1H3,(H,18,21)(H,19,22)
InChIKeyZNKXQYUORJGDEJ-UHFFFAOYSA-N
XLogP2.95
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-3-(2,4-dichlorobenzoyl)-5-methyl-1H-benzimidazol-2-one
CID 110867323
N-[4-(aminomethyl)phenyl]-5-chloro-2-oxo-3H-benzimidazole-1-carboxamide
CID 70094602
5-amino-N-cyclohexyl-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide
CID 110874385
N-[4-(butylaminomethyl)phenyl]-5,6-dichloro-2-oxo-3H-benzimidazole-1-carboxamide;hydrochloride
CID 142068065
5,6-dichloro-N-[4-[(heptylamino)methyl]phenyl]-2-oxo-3H-benzimidazole-1-carboxamide
CID 142067946
ethyl 6-amino-5-methyl-2-oxo-3H-benzimidazole-1-carboxylate
CID 110867315
5-amino-3-benzoyl-6-methyl-1H-benzimidazol-2-one
CID 110867224
diethyl 2-(4-chloroanilino)-3-[(1-ethyl-2-oxo-3H-benzimidazol-5-yl)amino]but-2-enedioate
CID 59017623
4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
CID 110721732
5-amino-6-methyl-3-[2-(4-methylphenoxy)acetyl]-1H-benzimidazol-2-one
CID 110866721
5-amino-N-(4-chlorophenyl)-3-methylpyrazole-1-carboxamide
CID 110463822
6-[2-(diethylamino)ethyl]-2-oxo-N-(4-propan-2-ylphenyl)-3H-benzimidazole-1-carboxamide
CID 23393837

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-chlorophenyl)-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide?
The IUPAC name of 5-amino-N-(4-chlorophenyl)-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide (CID 110874390) is 5-amino-N-(4-chlorophenyl)-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide.
What is the SMILES notation for 5-amino-N-(4-chlorophenyl)-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide?
The canonical SMILES for 5-amino-N-(4-chlorophenyl)-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide is Cc1cc2c(cc1N)[nH]c(=O)n2C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 5-amino-N-(4-chlorophenyl)-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide?
The InChIKey is ZNKXQYUORJGDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c1-8-6-13-12(7-11(8)17)19-15(22)20(13)14(21)18-10-4-2-9(16)3-5-10/h2-7H,17H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 5-amino-N-(4-chlorophenyl)-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide?
5-amino-N-(4-chlorophenyl)-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide has a molecular weight of 316.75 g/mol, XLogP of 2.95, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-chlorophenyl)-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide is sourced from PubChem (CID 110874390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).