N-benzyl-N-ethyl-1-methylbenzimidazole-5-carboxamide

C18H19N3O — CID 110692583

IUPACN-benzyl-N-ethyl-1-methylbenzimidazole-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C18H19N3O/c1-3-21(12-14-7-5-4-6-8-14)18(22)15-9-10-17-16(11-15)19-13-20(17)2/h4-11,13H,3,12H2,1-2H3
InChIKeyNJKLCXVPTOQCND-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.24
Rot. Bonds4

About N-benzyl-N-ethyl-1-methylbenzimidazole-5-carboxamide

N-benzyl-N-ethyl-1-methylbenzimidazole-5-carboxamide (PubChem CID 110692583) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1-methylbenzimidazole-5-carboxamide
PubChem CID110692583
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-benzyl-N-ethyl-1-methylbenzimidazole-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C18H19N3O/c1-3-21(12-14-7-5-4-6-8-14)18(22)15-9-10-17-16(11-15)19-13-20(17)2/h4-11,13H,3,12H2,1-2H3
InChIKeyNJKLCXVPTOQCND-UHFFFAOYSA-N
XLogP3.24
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-1-methyl-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide
CID 77080314
N-ethyl-1-methyl-N-phenylbenzimidazole-5-carboxamide
CID 110692625
N,1-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 95967901
N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683281
N,N-dibenzyl-1,2-dimethylbenzimidazole-5-carboxamide
CID 100776245
3-[benzyl(ethyl)carbamoyl]benzoic acid
CID 43452784
N-benzyl-N-methyl-1-propan-2-ylbenzimidazole-5-carboxamide
CID 110765703
N-methoxy-N,1-dimethylbenzimidazole-5-carboxamide
CID 86665700
(4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 95967887
N-benzyl-N-ethyl-2-(propylamino)pyridine-4-carboxamide
CID 109165092
N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765217
N-benzyl-4-carbamothioyl-N-ethylbenzamide
CID 28983877

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-1-methylbenzimidazole-5-carboxamide (CID 110692583) is N-benzyl-N-ethyl-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-1-methylbenzimidazole-5-carboxamide is CCN(Cc1ccccc1)C(=O)c1ccc2c(c1)ncn2C.
What is the InChIKey of N-benzyl-N-ethyl-1-methylbenzimidazole-5-carboxamide?
The InChIKey is NJKLCXVPTOQCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-3-21(12-14-7-5-4-6-8-14)18(22)15-9-10-17-16(11-15)19-13-20(17)2/h4-11,13H,3,12H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-1-methylbenzimidazole-5-carboxamide?
N-benzyl-N-ethyl-1-methylbenzimidazole-5-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 110692583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).