2-[[1-(1-methylbenzimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol

C17H25N3O — CID 64928260

IUPAC2-[[1-(1-methylbenzimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC(NCC1CCCCC1O)c1nc2ccccc2n1C
InChIInChI=1S/C17H25N3O/c1-12(18-11-13-7-3-6-10-16(13)21)17-19-14-8-4-5-9-15(14)20(17)2/h4-5,8-9,12-13,16,18,21H,3,6-7,10-11H2,1-2H3
InChIKeyYLKOHHRUALRVCY-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.78
Rot. Bonds4

About 2-[[1-(1-methylbenzimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol

2-[[1-(1-methylbenzimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 64928260) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[[1-(1-methylbenzimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[1-(1-methylbenzimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID64928260
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[[1-(1-methylbenzimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC(NCC1CCCCC1O)c1nc2ccccc2n1C
InChIInChI=1S/C17H25N3O/c1-12(18-11-13-7-3-6-10-16(13)21)17-19-14-8-4-5-9-15(14)20(17)2/h4-5,8-9,12-13,16,18,21H,3,6-7,10-11H2,1-2H3
InChIKeyYLKOHHRUALRVCY-UHFFFAOYSA-N
XLogP2.78
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 43195903
(1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine
CID 81396604
2-[(1-methylbenzimidazol-2-yl)methyl]cyclohexan-1-ol
CID 79750115
N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine
CID 43192433
4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol
CID 106840769
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
1-(1-methylbenzimidazol-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 104538077
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine
CID 113350156
(2S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119890016
N-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 119889969
4,4-dimethyl-1-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentan-2-ol
CID 103910844

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-methylbenzimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[1-(1-methylbenzimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol (CID 64928260) is 2-[[1-(1-methylbenzimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[1-(1-methylbenzimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[1-(1-methylbenzimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol is CC(NCC1CCCCC1O)c1nc2ccccc2n1C.
What is the InChIKey of 2-[[1-(1-methylbenzimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is YLKOHHRUALRVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12(18-11-13-7-3-6-10-16(13)21)17-19-14-8-4-5-9-15(14)20(17)2/h4-5,8-9,12-13,16,18,21H,3,6-7,10-11H2,1-2H3.
What are the key properties of 2-[[1-(1-methylbenzimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol?
2-[[1-(1-methylbenzimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 287.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-methylbenzimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64928260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).