3-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol

C15H21N3O — CID 63002126

IUPAC3-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
SMILESCn1c(CNC2CCCC(O)C2)nc2ccccc21
InChIInChI=1S/C15H21N3O/c1-18-14-8-3-2-7-13(14)17-15(18)10-16-11-5-4-6-12(19)9-11/h2-3,7-8,11-12,16,19H,4-6,9-10H2,1H3
InChIKeyYLQPNZNPKCCCRW-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.97
Rot. Bonds3

About 3-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol

3-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol (PubChem CID 63002126) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
PubChem CID63002126
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
SMILESCn1c(CNC2CCCC(O)C2)nc2ccccc21
InChIInChI=1S/C15H21N3O/c1-18-14-8-3-2-7-13(14)17-15(18)10-16-11-5-4-6-12(19)9-11/h2-3,7-8,11-12,16,19H,4-6,9-10H2,1H3
InChIKeyYLQPNZNPKCCCRW-UHFFFAOYSA-N
XLogP1.97
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
CID 98562090
N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine
CID 63001270
4-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509662
N-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine
CID 60665222
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119124241
N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 154747523
2-[(1-methylbenzimidazol-2-yl)methyl]cyclohexan-1-ol
CID 79750115
2,2,3,3-tetramethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropan-1-amine
CID 79351807
(2S,4S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 129475983
N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 56778130
4-(4-methoxyphenyl)-3-[(1-methylbenzimidazol-2-yl)methylamino]cyclopentane-1,2-diol
CID 163055620
(1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 95177731

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 3-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol (CID 63002126) is 3-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 3-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 3-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol is Cn1c(CNC2CCCC(O)C2)nc2ccccc21.
What is the InChIKey of 3-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol?
The InChIKey is YLQPNZNPKCCCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18-14-8-3-2-7-13(14)17-15(18)10-16-11-5-4-6-12(19)9-11/h2-3,7-8,11-12,16,19H,4-6,9-10H2,1H3.
What are the key properties of 3-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol?
3-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 63002126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).