N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide

C16H21N3O — CID 36516588

IUPACN-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide
SMILESCN(Cc1nc2ccccc2[nH]1)C(=O)C1CCCCC1
InChIInChI=1S/C16H21N3O/c1-19(16(20)12-7-3-2-4-8-12)11-15-17-13-9-5-6-10-14(13)18-15/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,17,18)
InChIKeyICOGALXFQXRXJH-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.10
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide

N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide (PubChem CID 36516588) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide
PubChem CID36516588
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide
SMILESCN(Cc1nc2ccccc2[nH]1)C(=O)C1CCCCC1
InChIInChI=1S/C16H21N3O/c1-19(16(20)12-7-3-2-4-8-12)11-15-17-13-9-5-6-10-14(13)18-15/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,17,18)
InChIKeyICOGALXFQXRXJH-UHFFFAOYSA-N
XLogP3.10
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-N-methylpiperidine-2-carboxamide
CID 110462326
4-N-(1H-benzimidazol-2-ylmethyl)-1-N,1-N-diethyl-4-N-methylpiperidine-1,4-dicarboxamide
CID 55718643
1-(1H-benzimidazol-2-ylmethyl)-3-cyclopentyl-1-methylurea
CID 38220835
N-(1H-benzimidazol-2-ylmethyl)-N,2,2-trimethylcyclopropane-1-carboxamide
CID 131949916
(4R)-N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethyl-2-oxopiperidine-4-carboxamide
CID 94037007
(3S)-N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 95556906
N-(1H-benzimidazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 36515812
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(1H-benzimidazol-2-ylmethyl)-N-methylacetamide
CID 92854492
N-(1H-benzimidazol-2-ylmethyl)-2-cyclopentyloxy-N-methylbutanamide
CID 56789407
2-[1H-benzimidazol-2-ylmethyl(methyl)amino]cyclohexan-1-ol
CID 102636442
(3R)-N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 95767867
N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide
CID 47159982

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide (CID 36516588) is N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide is CN(Cc1nc2ccccc2[nH]1)C(=O)C1CCCCC1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide?
The InChIKey is ICOGALXFQXRXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19(16(20)12-7-3-2-4-8-12)11-15-17-13-9-5-6-10-14(13)18-15/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,17,18).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide?
N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 36516588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).