3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide

C19H21N3O — CID 139382529

IUPAC3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide
SMILESCn1c(NC(=O)c2cccc(C(C)(C)C)c2)nc2ccccc21
InChIInChI=1S/C19H21N3O/c1-19(2,3)14-9-7-8-13(12-14)17(23)21-18-20-15-10-5-6-11-16(15)22(18)4/h5-12H,1-4H3,(H,20,21,23)
InChIKeyJBSFWBSOCHTBOU-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.12
Rot. Bonds2

About 3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide

3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide (PubChem CID 139382529) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide.

Molecular Properties

Compound Name3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide
PubChem CID139382529
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide
SMILESCn1c(NC(=O)c2cccc(C(C)(C)C)c2)nc2ccccc21
InChIInChI=1S/C19H21N3O/c1-19(2,3)14-9-7-8-13(12-14)17(23)21-18-20-15-10-5-6-11-16(15)22(18)4/h5-12H,1-4H3,(H,20,21,23)
InChIKeyJBSFWBSOCHTBOU-UHFFFAOYSA-N
XLogP4.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide 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

3-amino-N-(1-methylbenzimidazol-2-yl)benzamide
CID 110474422
3-cyano-N-(1-methylbenzimidazol-2-yl)benzamide
CID 35280472
N-(1,6-dimethylbenzimidazol-2-yl)benzamide
CID 12035464
N-(1-methylbenzimidazol-2-yl)-4-phenoxybenzamide
CID 72725713
4-chloro-N-(1-methylbenzimidazol-2-yl)-3-nitrobenzamide
CID 5175893
2,5-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 19481245
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 4800861
1-methyl-N-(1-methylbenzimidazol-2-yl)triazole-4-carboxamide
CID 110471540
3-[[1-(6-bromohexyl)benzimidazol-2-yl]carbamoyl]benzoic acid
CID 172789945
4-[(1-tert-butylbenzimidazol-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 155950252
N-(4-tert-butyl-2-pyridinyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide
CID 58562138

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide?
The IUPAC name of 3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide (CID 139382529) is 3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide.
What is the SMILES notation for 3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide?
The canonical SMILES for 3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide is Cn1c(NC(=O)c2cccc(C(C)(C)C)c2)nc2ccccc21.
What is the InChIKey of 3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide?
The InChIKey is JBSFWBSOCHTBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-19(2,3)14-9-7-8-13(12-14)17(23)21-18-20-15-10-5-6-11-16(15)22(18)4/h5-12H,1-4H3,(H,20,21,23).
What are the key properties of 3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide?
3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide has a molecular weight of 307.40 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide is sourced from PubChem (CID 139382529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).