[1-(1H-benzimidazol-2-ylamino)-3-methylcyclohexyl]methanol

C15H21N3O — CID 55129797

IUPAC[1-(1H-benzimidazol-2-ylamino)-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(Nc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C15H21N3O/c1-11-5-4-8-15(9-11,10-19)18-14-16-12-6-2-3-7-13(12)17-14/h2-3,6-7,11,19H,4-5,8-10H2,1H3,(H2,16,17,18)
InChIKeyUHPLXXBPRSMQJS-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.92
Rot. Bonds3

About [1-(1H-benzimidazol-2-ylamino)-3-methylcyclohexyl]methanol

[1-(1H-benzimidazol-2-ylamino)-3-methylcyclohexyl]methanol (PubChem CID 55129797) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [1-(1H-benzimidazol-2-ylamino)-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(1H-benzimidazol-2-ylamino)-3-methylcyclohexyl]methanol
PubChem CID55129797
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[1-(1H-benzimidazol-2-ylamino)-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(Nc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C15H21N3O/c1-11-5-4-8-15(9-11,10-19)18-14-16-12-6-2-3-7-13(12)17-14/h2-3,6-7,11,19H,4-5,8-10H2,1H3,(H2,16,17,18)
InChIKeyUHPLXXBPRSMQJS-UHFFFAOYSA-N
XLogP2.92
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(6-methoxy-2-pyridinyl)amino]-3-methylcyclohexyl]methanol
CID 63589171
[3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol
CID 55086844
[3-methyl-1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclohexyl]methanol
CID 62525512
[3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentyl]methanol
CID 79645068
N-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazol-2-amine
CID 106214801
[3-methyl-1-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]methanol
CID 63208586
1-(aminomethyl)-N-(1H-benzimidazol-2-yl)-4-methylcyclohexane-1-carboxamide
CID 115442160
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
2-chloro-6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-4-carbonitrile
CID 83076666
[1-(4-amino-2-bromoanilino)-3-methylcyclohexyl]methanol
CID 62550934
[1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
CID 80919691
N-[(3R)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride
CID 71637322

Frequently Asked Questions

What is the IUPAC name of [1-(1H-benzimidazol-2-ylamino)-3-methylcyclohexyl]methanol?
The IUPAC name of [1-(1H-benzimidazol-2-ylamino)-3-methylcyclohexyl]methanol (CID 55129797) is [1-(1H-benzimidazol-2-ylamino)-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-(1H-benzimidazol-2-ylamino)-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-(1H-benzimidazol-2-ylamino)-3-methylcyclohexyl]methanol is CC1CCCC(CO)(Nc2nc3ccccc3[nH]2)C1.
What is the InChIKey of [1-(1H-benzimidazol-2-ylamino)-3-methylcyclohexyl]methanol?
The InChIKey is UHPLXXBPRSMQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-5-4-8-15(9-11,10-19)18-14-16-12-6-2-3-7-13(12)17-14/h2-3,6-7,11,19H,4-5,8-10H2,1H3,(H2,16,17,18).
What are the key properties of [1-(1H-benzimidazol-2-ylamino)-3-methylcyclohexyl]methanol?
[1-(1H-benzimidazol-2-ylamino)-3-methylcyclohexyl]methanol has a molecular weight of 259.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-benzimidazol-2-ylamino)-3-methylcyclohexyl]methanol is sourced from PubChem (CID 55129797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).