3-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]cyclopentan-1-ol

C13H14Cl2N2O — CID 118114327

IUPAC3-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]cyclopentan-1-ol
SMILESOC1CCC(n2c(CCl)nc3cc(Cl)ccc32)C1
InChIInChI=1S/C13H14Cl2N2O/c14-7-13-16-11-5-8(15)1-4-12(11)17(13)9-2-3-10(18)6-9/h1,4-5,9-10,18H,2-3,6-7H2
InChIKeyYDWIOGDNAFMGKY-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.51
Rot. Bonds2

About 3-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]cyclopentan-1-ol

3-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]cyclopentan-1-ol (PubChem CID 118114327) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is 3-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]cyclopentan-1-ol
PubChem CID118114327
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC Name3-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]cyclopentan-1-ol
SMILESOC1CCC(n2c(CCl)nc3cc(Cl)ccc32)C1
InChIInChI=1S/C13H14Cl2N2O/c14-7-13-16-11-5-8(15)1-4-12(11)17(13)9-2-3-10(18)6-9/h1,4-5,9-10,18H,2-3,6-7H2
InChIKeyYDWIOGDNAFMGKY-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-(chloromethyl)-1-(3-methylcyclopentyl)benzimidazole
CID 114548595
5-chloro-2-(4-chlorobutyl)-1-cyclopropylbenzimidazole
CID 54919972
5-chloro-2-(chloromethyl)-1-(2-methylcyclopentyl)benzimidazole
CID 55172239
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine
CID 60785360
6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole
CID 115470830
5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole
CID 43660199
6-(5-chloro-1-cyclopropylbenzimidazol-2-yl)hexan-1-amine
CID 60783944
1-amino-3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-2-ol
CID 66003739
6-chloro-2-(chloromethyl)-1-(1,2-dimethylpiperidin-4-yl)benzimidazole
CID 115471775
2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethanol
CID 28819102
5-chloro-2-(chloromethyl)-1-(2-cyclobutylethyl)benzimidazole
CID 113479127
5-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-1-methylpiperidin-2-one
CID 64667410

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]cyclopentan-1-ol?
The IUPAC name of 3-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]cyclopentan-1-ol (CID 118114327) is 3-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]cyclopentan-1-ol.
What is the SMILES notation for 3-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]cyclopentan-1-ol?
The canonical SMILES for 3-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]cyclopentan-1-ol is OC1CCC(n2c(CCl)nc3cc(Cl)ccc32)C1.
What is the InChIKey of 3-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]cyclopentan-1-ol?
The InChIKey is YDWIOGDNAFMGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O/c14-7-13-16-11-5-8(15)1-4-12(11)17(13)9-2-3-10(18)6-9/h1,4-5,9-10,18H,2-3,6-7H2.
What are the key properties of 3-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]cyclopentan-1-ol?
3-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]cyclopentan-1-ol has a molecular weight of 285.17 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 118114327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).