2-[1H-benzimidazol-2-ylmethyl(methyl)amino]cyclohexan-1-ol

C15H21N3O — CID 102636442

IUPAC2-[1H-benzimidazol-2-ylmethyl(methyl)amino]cyclohexan-1-ol
SMILESCN(Cc1nc2ccccc2[nH]1)C1CCCCC1O
InChIInChI=1S/C15H21N3O/c1-18(13-8-4-5-9-14(13)19)10-15-16-11-6-2-3-7-12(11)17-15/h2-3,6-7,13-14,19H,4-5,8-10H2,1H3,(H,16,17)
InChIKeyZKFPJMRWMUQXQP-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.30
Rot. Bonds3

About 2-[1H-benzimidazol-2-ylmethyl(methyl)amino]cyclohexan-1-ol

2-[1H-benzimidazol-2-ylmethyl(methyl)amino]cyclohexan-1-ol (PubChem CID 102636442) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[1H-benzimidazol-2-ylmethyl(methyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1H-benzimidazol-2-ylmethyl(methyl)amino]cyclohexan-1-ol
PubChem CID102636442
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[1H-benzimidazol-2-ylmethyl(methyl)amino]cyclohexan-1-ol
SMILESCN(Cc1nc2ccccc2[nH]1)C1CCCCC1O
InChIInChI=1S/C15H21N3O/c1-18(13-8-4-5-9-14(13)19)10-15-16-11-6-2-3-7-12(11)17-15/h2-3,6-7,13-14,19H,4-5,8-10H2,1H3,(H,16,17)
InChIKeyZKFPJMRWMUQXQP-UHFFFAOYSA-N
XLogP2.30
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide
CID 36516588
4-N-(1H-benzimidazol-2-ylmethyl)-4-N-methylcyclohexane-1,4-diamine
CID 79121832
N-(1H-benzimidazol-2-ylmethyl)-N-methylazepan-4-amine
CID 107173191
1-(1H-benzimidazol-2-ylmethyl)-3-cyclopentyl-1-methylurea
CID 38220835
N-(1H-benzimidazol-2-ylmethyl)-N-methylpiperidine-2-carboxamide
CID 110462326
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)-N,2,2-trimethylcyclopropane-1-carboxamide
CID 131949916
N-(1H-benzimidazol-2-ylmethyl)-1-[2-(cyclopentylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 74236272
N-(1H-benzimidazol-2-ylmethyl)-2-cyclopentyloxy-N-methylbutanamide
CID 56789407
N-(1H-benzimidazol-2-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231357
2-N,3-N-bis(1H-benzimidazol-2-ylmethyl)-2-N,3-N-dimethyl-1,4-diphenylbutane-2,3-diamine
CID 175787305
3-[3-(1H-benzimidazol-2-yl)propyl]-1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-methylurea
CID 99578317

Frequently Asked Questions

What is the IUPAC name of 2-[1H-benzimidazol-2-ylmethyl(methyl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[1H-benzimidazol-2-ylmethyl(methyl)amino]cyclohexan-1-ol (CID 102636442) is 2-[1H-benzimidazol-2-ylmethyl(methyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[1H-benzimidazol-2-ylmethyl(methyl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[1H-benzimidazol-2-ylmethyl(methyl)amino]cyclohexan-1-ol is CN(Cc1nc2ccccc2[nH]1)C1CCCCC1O.
What is the InChIKey of 2-[1H-benzimidazol-2-ylmethyl(methyl)amino]cyclohexan-1-ol?
The InChIKey is ZKFPJMRWMUQXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18(13-8-4-5-9-14(13)19)10-15-16-11-6-2-3-7-12(11)17-15/h2-3,6-7,13-14,19H,4-5,8-10H2,1H3,(H,16,17).
What are the key properties of 2-[1H-benzimidazol-2-ylmethyl(methyl)amino]cyclohexan-1-ol?
2-[1H-benzimidazol-2-ylmethyl(methyl)amino]cyclohexan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-benzimidazol-2-ylmethyl(methyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 102636442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).