2-[5-bromo-1-(cyclopentylmethyl)benzimidazol-2-yl]ethanol

C15H19BrN2O — CID 58189371

IUPAC2-[5-bromo-1-(cyclopentylmethyl)benzimidazol-2-yl]ethanol
SMILESOCCc1nc2cc(Br)ccc2n1CC1CCCC1
InChIInChI=1S/C15H19BrN2O/c16-12-5-6-14-13(9-12)17-15(7-8-19)18(14)10-11-3-1-2-4-11/h5-6,9,11,19H,1-4,7-8,10H2
InChIKeyWPRVDPWSPHSQLE-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.52
Rot. Bonds4

About 2-[5-bromo-1-(cyclopentylmethyl)benzimidazol-2-yl]ethanol

2-[5-bromo-1-(cyclopentylmethyl)benzimidazol-2-yl]ethanol (PubChem CID 58189371) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 2-[5-bromo-1-(cyclopentylmethyl)benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-bromo-1-(cyclopentylmethyl)benzimidazol-2-yl]ethanol
PubChem CID58189371
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name2-[5-bromo-1-(cyclopentylmethyl)benzimidazol-2-yl]ethanol
SMILESOCCc1nc2cc(Br)ccc2n1CC1CCCC1
InChIInChI=1S/C15H19BrN2O/c16-12-5-6-14-13(9-12)17-15(7-8-19)18(14)10-11-3-1-2-4-11/h5-6,9,11,19H,1-4,7-8,10H2
InChIKeyWPRVDPWSPHSQLE-UHFFFAOYSA-N
XLogP3.52
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole
CID 113479132
5-bromo-2-(2-chloroethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazole
CID 60855956
2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-methylbenzimidazole
CID 43667524
5-bromo-2-(2-chloroethyl)-1-(cyclopentylmethyl)-6-fluorobenzimidazole
CID 66088505
6-chloro-2-(2-chloroethyl)-1-(cyclopentylmethyl)benzimidazole
CID 115471068
5-bromo-1-ethyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 62218072
2-(2-chloroethyl)-1-(cyclopropylmethyl)-5-methylbenzimidazole
CID 43666106
6-bromo-2-(2-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole
CID 65344662
2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-fluoro-6-methylbenzimidazole
CID 103593396
N-[2-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 54924007
3-[(5-amino-2-propylbenzimidazol-1-yl)methyl]cyclohexan-1-ol
CID 106137537
3-[[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol
CID 106137534

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-1-(cyclopentylmethyl)benzimidazol-2-yl]ethanol?
The IUPAC name of 2-[5-bromo-1-(cyclopentylmethyl)benzimidazol-2-yl]ethanol (CID 58189371) is 2-[5-bromo-1-(cyclopentylmethyl)benzimidazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-bromo-1-(cyclopentylmethyl)benzimidazol-2-yl]ethanol?
The canonical SMILES for 2-[5-bromo-1-(cyclopentylmethyl)benzimidazol-2-yl]ethanol is OCCc1nc2cc(Br)ccc2n1CC1CCCC1.
What is the InChIKey of 2-[5-bromo-1-(cyclopentylmethyl)benzimidazol-2-yl]ethanol?
The InChIKey is WPRVDPWSPHSQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c16-12-5-6-14-13(9-12)17-15(7-8-19)18(14)10-11-3-1-2-4-11/h5-6,9,11,19H,1-4,7-8,10H2.
What are the key properties of 2-[5-bromo-1-(cyclopentylmethyl)benzimidazol-2-yl]ethanol?
2-[5-bromo-1-(cyclopentylmethyl)benzimidazol-2-yl]ethanol has a molecular weight of 323.23 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-1-(cyclopentylmethyl)benzimidazol-2-yl]ethanol is sourced from PubChem (CID 58189371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).