4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol

C17H24N2O — CID 115818515

IUPAC4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
SMILESCn1c(CC(O)CCC2CCCC2)nc2ccccc21
InChIInChI=1S/C17H24N2O/c1-19-16-9-5-4-8-15(16)18-17(19)12-14(20)11-10-13-6-2-3-7-13/h4-5,8-9,13-14,20H,2-3,6-7,10-12H2,1H3
InChIKeyMIURIRXQYQAUCD-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.45
Rot. Bonds5

About 4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol

4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol (PubChem CID 115818515) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
PubChem CID115818515
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
SMILESCn1c(CC(O)CCC2CCCC2)nc2ccccc21
InChIInChI=1S/C17H24N2O/c1-19-16-9-5-4-8-15(16)18-17(19)12-14(20)11-10-13-6-2-3-7-13/h4-5,8-9,13-14,20H,2-3,6-7,10-12H2,1H3
InChIKeyMIURIRXQYQAUCD-UHFFFAOYSA-N
XLogP3.45
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-amine
CID 105007641
1-cyclopentylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753289
1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-amine
CID 105007666
2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753334
1-(1-methylbenzimidazol-2-yl)-3-phenylpropan-2-ol
CID 79753827
1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol
CID 79754354
1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 103170121
1-(1-methoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 103560180
2-(1-methylbenzimidazol-2-yl)-1-(thiolan-3-yl)ethanol
CID 105111555
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-2-yl)ethanol
CID 80622676
1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79750402

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol?
The IUPAC name of 4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol (CID 115818515) is 4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol.
What is the SMILES notation for 4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol?
The canonical SMILES for 4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol is Cn1c(CC(O)CCC2CCCC2)nc2ccccc21.
What is the InChIKey of 4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol?
The InChIKey is MIURIRXQYQAUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-19-16-9-5-4-8-15(16)18-17(19)12-14(20)11-10-13-6-2-3-7-13/h4-5,8-9,13-14,20H,2-3,6-7,10-12H2,1H3.
What are the key properties of 4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol?
4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol has a molecular weight of 272.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol is sourced from PubChem (CID 115818515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).