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

C20H23N3O — CID 143659496

IUPAC2-(2,6-dimethylphenyl)-N,N-diethyl-3H-benzimidazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2nc(-c3c(C)cccc3C)[nH]c2c1
InChIInChI=1S/C20H23N3O/c1-5-23(6-2)20(24)15-10-11-16-17(12-15)22-19(21-16)18-13(3)8-7-9-14(18)4/h7-12H,5-6H2,1-4H3,(H,21,22)
InChIKeyRJEUFFOTQXQLNG-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.33
Rot. Bonds4

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

2-(2,6-dimethylphenyl)-N,N-diethyl-3H-benzimidazole-5-carboxamide (PubChem CID 143659496) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-N,N-diethyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-N,N-diethyl-3H-benzimidazole-5-carboxamide
PubChem CID143659496
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-(2,6-dimethylphenyl)-N,N-diethyl-3H-benzimidazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2nc(-c3c(C)cccc3C)[nH]c2c1
InChIInChI=1S/C20H23N3O/c1-5-23(6-2)20(24)15-10-11-16-17(12-15)22-19(21-16)18-13(3)8-7-9-14(18)4/h7-12H,5-6H2,1-4H3,(H,21,22)
InChIKeyRJEUFFOTQXQLNG-UHFFFAOYSA-N
XLogP4.33
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,6-dimethylphenyl)-N,N-diethyl-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-[3-(diethylcarbamoyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide
CID 10274172
ethyl N-[2-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]carbamate
CID 25065962
N-(4-tert-butylphenyl)-2-(2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 66965561
1-[2-(2-chloro-6-methylphenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone
CID 58156387
2-(2,6-dichlorophenyl)-N-methyl-N-(3-methylphenyl)-3H-benzimidazole-5-carboxamide
CID 143659642
3-(6-acetyl-1H-benzimidazol-2-yl)-4-amino-1H-quinolin-2-one;2-(4-amino-2-oxo-1H-quinolin-3-yl)-N-ethyl-N-methyl-3H-benzimidazole-5-carboxamide
CID 158946826
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 143659491
N,2-dimethyl-3H-benzimidazole-5-carbohydrazide
CID 116845661
1-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone
CID 82303742
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(difluoromethyl)-N-ethyl-3H-benzimidazole-5-carboxamide
CID 166197234
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone
CID 58156251
2-(4-amino-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 141205717

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-N,N-diethyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dimethylphenyl)-N,N-diethyl-3H-benzimidazole-5-carboxamide (CID 143659496) is 2-(2,6-dimethylphenyl)-N,N-diethyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-N,N-diethyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dimethylphenyl)-N,N-diethyl-3H-benzimidazole-5-carboxamide is CCN(CC)C(=O)c1ccc2nc(-c3c(C)cccc3C)[nH]c2c1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-N,N-diethyl-3H-benzimidazole-5-carboxamide?
The InChIKey is RJEUFFOTQXQLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-5-23(6-2)20(24)15-10-11-16-17(12-15)22-19(21-16)18-13(3)8-7-9-14(18)4/h7-12H,5-6H2,1-4H3,(H,21,22).
What are the key properties of 2-(2,6-dimethylphenyl)-N,N-diethyl-3H-benzimidazole-5-carboxamide?
2-(2,6-dimethylphenyl)-N,N-diethyl-3H-benzimidazole-5-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-N,N-diethyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 143659496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).