N-tert-butyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide

C19H21N3O — CID 100578594

IUPACN-tert-butyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
SMILESCc1ccc2nc(-c3ccc(C(=O)NC(C)(C)C)cc3)[nH]c2c1
InChIInChI=1S/C19H21N3O/c1-12-5-10-15-16(11-12)21-17(20-15)13-6-8-14(9-7-13)18(23)22-19(2,3)4/h5-11H,1-4H3,(H,20,21)(H,22,23)
InChIKeyXZYDNHNLQALRME-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.07
Rot. Bonds2

About N-tert-butyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide

N-tert-butyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide (PubChem CID 100578594) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-tert-butyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
PubChem CID100578594
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-tert-butyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
SMILESCc1ccc2nc(-c3ccc(C(=O)NC(C)(C)C)cc3)[nH]c2c1
InChIInChI=1S/C19H21N3O/c1-12-5-10-15-16(11-12)21-17(20-15)13-6-8-14(9-7-13)18(23)22-19(2,3)4/h5-11H,1-4H3,(H,20,21)(H,22,23)
InChIKeyXZYDNHNLQALRME-UHFFFAOYSA-N
XLogP4.07
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578861
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578851
N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578973
N-(2,3-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578809
2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690183
4-[6-[2-(4-carboxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoic acid
CID 1211927
N-[2-methyl-2-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]propyl]acetamide
CID 19840405
N-tert-butyl-2-(2-phenyl-3H-benzimidazol-5-yl)acetamide
CID 110773431
2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid
CID 71243393
1-tert-butyl-3-(6-methyl-1H-benzimidazol-2-yl)urea
CID 102320538
methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 159476815

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide?
The IUPAC name of N-tert-butyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide (CID 100578594) is N-tert-butyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide.
What is the SMILES notation for N-tert-butyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide?
The canonical SMILES for N-tert-butyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide is Cc1ccc2nc(-c3ccc(C(=O)NC(C)(C)C)cc3)[nH]c2c1.
What is the InChIKey of N-tert-butyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide?
The InChIKey is XZYDNHNLQALRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-12-5-10-15-16(11-12)21-17(20-15)13-6-8-14(9-7-13)18(23)22-19(2,3)4/h5-11H,1-4H3,(H,20,21)(H,22,23).
What are the key properties of N-tert-butyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide?
N-tert-butyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide has a molecular weight of 307.40 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide is sourced from PubChem (CID 100578594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).