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

C26H27N3O — CID 66965561

IUPACN-(4-tert-butylphenyl)-2-(2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide
SMILESCc1cccc(C)c1-c1nc2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cc2[nH]1
InChIInChI=1S/C26H27N3O/c1-16-7-6-8-17(2)23(16)24-28-21-14-9-18(15-22(21)29-24)25(30)27-20-12-10-19(11-13-20)26(3,4)5/h6-15H,1-5H3,(H,27,30)(H,28,29)
InChIKeyHXTVSUMBKIOACJ-UHFFFAOYSA-N
MW397.52 g/mol
LogP6.40
Rot. Bonds3

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

N-(4-tert-butylphenyl)-2-(2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 66965561) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide
PubChem CID66965561
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC NameN-(4-tert-butylphenyl)-2-(2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide
SMILESCc1cccc(C)c1-c1nc2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cc2[nH]1
InChIInChI=1S/C26H27N3O/c1-16-7-6-8-17(2)23(16)24-28-21-14-9-18(15-22(21)29-24)25(30)27-20-12-10-19(11-13-20)26(3,4)5/h6-15H,1-5H3,(H,27,30)(H,28,29)
InChIKeyHXTVSUMBKIOACJ-UHFFFAOYSA-N
XLogP6.40
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-amino-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 141205717
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
2-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 25066986
2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690183
ethyl N-[2-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]carbamate
CID 25065962
N-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-2-[4-(dimethylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 67112793
N-[4-(dimethylamino)phenyl]-2-[4-[[4-(dimethylamino)phenyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686135
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
3-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]benzoic acid
CID 68935401
ethyl (E)-3-[4-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]phenyl]prop-2-enoate
CID 66965564
2-(2,6-dimethylphenyl)-N,N-diethyl-3H-benzimidazole-5-carboxamide
CID 143659496

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide (CID 66965561) is N-(4-tert-butylphenyl)-2-(2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide is Cc1cccc(C)c1-c1nc2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cc2[nH]1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is HXTVSUMBKIOACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-16-7-6-8-17(2)23(16)24-28-21-14-9-18(15-22(21)29-24)25(30)27-20-12-10-19(11-13-20)26(3,4)5/h6-15H,1-5H3,(H,27,30)(H,28,29).
What are the key properties of N-(4-tert-butylphenyl)-2-(2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide?
N-(4-tert-butylphenyl)-2-(2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 6.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 66965561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).