1-[1-hydroxy-2-(1-methylbenzimidazol-2-yl)ethyl]cycloheptan-1-ol

C17H24N2O2 — CID 103452132

IUPAC1-[1-hydroxy-2-(1-methylbenzimidazol-2-yl)ethyl]cycloheptan-1-ol
SMILESCn1c(CC(O)C2(O)CCCCCC2)nc2ccccc21
InChIInChI=1S/C17H24N2O2/c1-19-14-9-5-4-8-13(14)18-16(19)12-15(20)17(21)10-6-2-3-7-11-17/h4-5,8-9,15,20-21H,2-3,6-7,10-12H2,1H3
InChIKeySAKCJNCWGWREAV-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.56
Rot. Bonds3

About 1-[1-hydroxy-2-(1-methylbenzimidazol-2-yl)ethyl]cycloheptan-1-ol

1-[1-hydroxy-2-(1-methylbenzimidazol-2-yl)ethyl]cycloheptan-1-ol (PubChem CID 103452132) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[1-hydroxy-2-(1-methylbenzimidazol-2-yl)ethyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[1-hydroxy-2-(1-methylbenzimidazol-2-yl)ethyl]cycloheptan-1-ol
PubChem CID103452132
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[1-hydroxy-2-(1-methylbenzimidazol-2-yl)ethyl]cycloheptan-1-ol
SMILESCn1c(CC(O)C2(O)CCCCCC2)nc2ccccc21
InChIInChI=1S/C17H24N2O2/c1-19-14-9-5-4-8-13(14)18-16(19)12-15(20)17(21)10-6-2-3-7-11-17/h4-5,8-9,15,20-21H,2-3,6-7,10-12H2,1H3
InChIKeySAKCJNCWGWREAV-UHFFFAOYSA-N
XLogP2.56
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
1-(1-methoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 103560180
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclohexyl)ethanol
CID 106830947
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
1-[1-hydroxy-2-(1-methylindazol-3-yl)ethyl]cycloheptan-1-ol
CID 103452206
2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753334
1-[(1-methylbenzimidazol-2-yl)methyl]cycloheptane-1-carboxylic acid
CID 43470977
1-(1-methylbenzimidazol-2-yl)-3-phenylpropan-2-ol
CID 79753827
1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol
CID 79754354
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79756074
2-(1-methylbenzimidazol-2-yl)-1-(thiolan-3-yl)ethanol
CID 105111555
2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]cyclohexan-1-ol
CID 79753321

Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxy-2-(1-methylbenzimidazol-2-yl)ethyl]cycloheptan-1-ol?
The IUPAC name of 1-[1-hydroxy-2-(1-methylbenzimidazol-2-yl)ethyl]cycloheptan-1-ol (CID 103452132) is 1-[1-hydroxy-2-(1-methylbenzimidazol-2-yl)ethyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[1-hydroxy-2-(1-methylbenzimidazol-2-yl)ethyl]cycloheptan-1-ol?
The canonical SMILES for 1-[1-hydroxy-2-(1-methylbenzimidazol-2-yl)ethyl]cycloheptan-1-ol is Cn1c(CC(O)C2(O)CCCCCC2)nc2ccccc21.
What is the InChIKey of 1-[1-hydroxy-2-(1-methylbenzimidazol-2-yl)ethyl]cycloheptan-1-ol?
The InChIKey is SAKCJNCWGWREAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-19-14-9-5-4-8-13(14)18-16(19)12-15(20)17(21)10-6-2-3-7-11-17/h4-5,8-9,15,20-21H,2-3,6-7,10-12H2,1H3.
What are the key properties of 1-[1-hydroxy-2-(1-methylbenzimidazol-2-yl)ethyl]cycloheptan-1-ol?
1-[1-hydroxy-2-(1-methylbenzimidazol-2-yl)ethyl]cycloheptan-1-ol has a molecular weight of 288.39 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxy-2-(1-methylbenzimidazol-2-yl)ethyl]cycloheptan-1-ol is sourced from PubChem (CID 103452132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).