N-benzyl-2-cyclopropyl-N,1-dimethylbenzimidazole-5-carboxamide

C20H21N3O — CID 110766019

IUPACN-benzyl-2-cyclopropyl-N,1-dimethylbenzimidazole-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc2c(c1)nc(C1CC1)n2C
InChIInChI=1S/C20H21N3O/c1-22(13-14-6-4-3-5-7-14)20(24)16-10-11-18-17(12-16)21-19(23(18)2)15-8-9-15/h3-7,10-12,15H,8-9,13H2,1-2H3
InChIKeyDQOJRKOISQDGEK-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.72
Rot. Bonds4

About N-benzyl-2-cyclopropyl-N,1-dimethylbenzimidazole-5-carboxamide

N-benzyl-2-cyclopropyl-N,1-dimethylbenzimidazole-5-carboxamide (PubChem CID 110766019) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-benzyl-2-cyclopropyl-N,1-dimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-cyclopropyl-N,1-dimethylbenzimidazole-5-carboxamide
PubChem CID110766019
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-benzyl-2-cyclopropyl-N,1-dimethylbenzimidazole-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc2c(c1)nc(C1CC1)n2C
InChIInChI=1S/C20H21N3O/c1-22(13-14-6-4-3-5-7-14)20(24)16-10-11-18-17(12-16)21-19(23(18)2)15-8-9-15/h3-7,10-12,15H,8-9,13H2,1-2H3
InChIKeyDQOJRKOISQDGEK-UHFFFAOYSA-N
XLogP3.72
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-cyclopentyl-N-methylbenzimidazole-5-carboxamide
CID 3658169
N,N-dibenzyl-1,2-dimethylbenzimidazole-5-carboxamide
CID 100776245
1-benzyl-3-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]urea
CID 110776249
1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-(ethylamino)ethanone
CID 96677034
N,2-dicyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 110765996
N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide
CID 25341525
N-benzyl-N-methyl-1-propan-2-ylbenzimidazole-5-carboxamide
CID 110765703
(2-cyclopentyl-1-methylbenzimidazol-5-yl)-cyclopropylmethanone
CID 82501905
4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one
CID 82497246
2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)propanoic acid
CID 82497559
N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide
CID 110387920
2-cyclopropyl-N,N,3-trimethyl-7-phenylmethoxybenzimidazole-5-carboxamide
CID 69134414

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-cyclopropyl-N,1-dimethylbenzimidazole-5-carboxamide?
The IUPAC name of N-benzyl-2-cyclopropyl-N,1-dimethylbenzimidazole-5-carboxamide (CID 110766019) is N-benzyl-2-cyclopropyl-N,1-dimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-cyclopropyl-N,1-dimethylbenzimidazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-cyclopropyl-N,1-dimethylbenzimidazole-5-carboxamide is CN(Cc1ccccc1)C(=O)c1ccc2c(c1)nc(C1CC1)n2C.
What is the InChIKey of N-benzyl-2-cyclopropyl-N,1-dimethylbenzimidazole-5-carboxamide?
The InChIKey is DQOJRKOISQDGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-22(13-14-6-4-3-5-7-14)20(24)16-10-11-18-17(12-16)21-19(23(18)2)15-8-9-15/h3-7,10-12,15H,8-9,13H2,1-2H3.
What are the key properties of N-benzyl-2-cyclopropyl-N,1-dimethylbenzimidazole-5-carboxamide?
N-benzyl-2-cyclopropyl-N,1-dimethylbenzimidazole-5-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-cyclopropyl-N,1-dimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 110766019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).