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

C26H26N4O2 — CID 66965611

IUPAC2-(4-acetamido-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide
SMILESCC(=O)Nc1cc(C)c(-c2nc3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3[nH]2)c(C)c1
InChIInChI=1S/C26H26N4O2/c1-14-6-8-20(10-15(14)2)28-26(32)19-7-9-22-23(13-19)30-25(29-22)24-16(3)11-21(12-17(24)4)27-18(5)31/h6-13H,1-5H3,(H,27,31)(H,28,32)(H,29,30)
InChIKeyNOORPHIGMGURCO-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.67
Rot. Bonds4

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

2-(4-acetamido-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 66965611) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-(4-acetamido-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-acetamido-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide
PubChem CID66965611
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name2-(4-acetamido-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide
SMILESCC(=O)Nc1cc(C)c(-c2nc3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3[nH]2)c(C)c1
InChIInChI=1S/C26H26N4O2/c1-14-6-8-20(10-15(14)2)28-26(32)19-7-9-22-23(13-19)30-25(29-22)24-16(3)11-21(12-17(24)4)27-18(5)31/h6-13H,1-5H3,(H,27,31)(H,28,32)(H,29,30)
InChIKeyNOORPHIGMGURCO-UHFFFAOYSA-N
XLogP5.67
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-amino-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 141205717
2-[4-[6-[(3,4-dimethylphenyl)carbamoyl]-1H-benzimidazol-2-yl]-3,5-dimethylanilino]acetic acid
CID 66965549
N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578851
N-(4-tert-butylphenyl)-2-(2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 66965561
4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide
CID 100579998
1-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone
CID 82303742
N-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide
CID 1136428
N-(4-acetamidophenyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765669
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
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
CID 677956

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamido-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(4-acetamido-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide (CID 66965611) is 2-(4-acetamido-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(4-acetamido-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(4-acetamido-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide is CC(=O)Nc1cc(C)c(-c2nc3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3[nH]2)c(C)c1.
What is the InChIKey of 2-(4-acetamido-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is NOORPHIGMGURCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-14-6-8-20(10-15(14)2)28-26(32)19-7-9-22-23(13-19)30-25(29-22)24-16(3)11-21(12-17(24)4)27-18(5)31/h6-13H,1-5H3,(H,27,31)(H,28,32)(H,29,30).
What are the key properties of 2-(4-acetamido-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide?
2-(4-acetamido-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 5.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamido-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 66965611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).