2-(4-amino-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide

C24H24N4O — CID 141205717

IUPAC2-(4-amino-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3nc(-c4c(C)cc(N)cc4C)[nH]c3c2)cc1C
InChIInChI=1S/C24H24N4O/c1-13-5-7-19(11-14(13)2)26-24(29)17-6-8-20-21(12-17)28-23(27-20)22-15(3)9-18(25)10-16(22)4/h5-12H,25H2,1-4H3,(H,26,29)(H,27,28)
InChIKeyQOVSLTCVRYJRFP-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.30
Rot. Bonds3

About 2-(4-amino-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide

2-(4-amino-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 141205717) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(4-amino-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-amino-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide
PubChem CID141205717
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-(4-amino-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3nc(-c4c(C)cc(N)cc4C)[nH]c3c2)cc1C
InChIInChI=1S/C24H24N4O/c1-13-5-7-19(11-14(13)2)26-24(29)17-6-8-20-21(12-17)28-23(27-20)22-15(3)9-18(25)10-16(22)4/h5-12H,25H2,1-4H3,(H,26,29)(H,27,28)
InChIKeyQOVSLTCVRYJRFP-UHFFFAOYSA-N
XLogP5.30
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-amino-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-acetamido-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 66965611
2-[4-[6-[(3,4-dimethylphenyl)carbamoyl]-1H-benzimidazol-2-yl]-3,5-dimethylanilino]acetic acid
CID 66965549
N-(4-tert-butylphenyl)-2-(2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 66965561
N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578851
4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide
CID 100579998
ethyl N-[2-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]carbamate
CID 25065962
2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60636051
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
2-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 25066986
3-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]benzoic acid
CID 68935401
2-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide
CID 66965608
1-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone
CID 82303742

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(4-amino-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide (CID 141205717) is 2-(4-amino-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(4-amino-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(4-amino-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide is Cc1ccc(NC(=O)c2ccc3nc(-c4c(C)cc(N)cc4C)[nH]c3c2)cc1C.
What is the InChIKey of 2-(4-amino-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is QOVSLTCVRYJRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-13-5-7-19(11-14(13)2)26-24(29)17-6-8-20-21(12-17)28-23(27-20)22-15(3)9-18(25)10-16(22)4/h5-12H,25H2,1-4H3,(H,26,29)(H,27,28).
What are the key properties of 2-(4-amino-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide?
2-(4-amino-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 5.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 141205717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).