6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole

C13H14Cl2N2 — CID 115470830

IUPAC6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole
SMILESClCc1nc2ccc(Cl)cc2n1C1CCCC1
InChIInChI=1S/C13H14Cl2N2/c14-8-13-16-11-6-5-9(15)7-12(11)17(13)10-3-1-2-4-10/h5-7,10H,1-4,8H2
InChIKeyOJPBYYVSCKLHGP-UHFFFAOYSA-N
MW269.17 g/mol
LogP4.54
Rot. Bonds2

About 6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole

6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole (PubChem CID 115470830) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.17 g/mol. Its IUPAC name is 6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole.

Molecular Properties

Compound Name6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole
PubChem CID115470830
Molecular FormulaC13H14Cl2N2
Molecular Weight269.17 g/mol
Exact Mass268.05
IUPAC Name6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole
SMILESClCc1nc2ccc(Cl)cc2n1C1CCCC1
InChIInChI=1S/C13H14Cl2N2/c14-8-13-16-11-6-5-9(15)7-12(11)17(13)10-3-1-2-4-10/h5-7,10H,1-4,8H2
InChIKeyOJPBYYVSCKLHGP-UHFFFAOYSA-N
XLogP4.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole
CID 62377893
6-chloro-2-(chloromethyl)-1-(3-methylcyclopentyl)benzimidazole
CID 114548595
2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole
CID 62414806
6-chloro-2-(chloromethyl)-1-(1,2-dimethylpiperidin-4-yl)benzimidazole
CID 115471775
2-(chloromethyl)-1-cyclobutylbenzimidazole
CID 62416767
6-chloro-1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole
CID 115473348
5-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-1-methylpiperidin-2-one
CID 115471621
2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole
CID 43660216
2-(6-chloro-1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
CID 115470231
6-chloro-1-cyclopropyl-2-(1,4-diazepan-1-ylmethyl)benzimidazole
CID 115473196
2-(chloromethyl)-1-cyclohexyl-5-fluorobenzimidazole
CID 43660251
6-chloro-2-(chloromethyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazole
CID 115471476

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole?
The IUPAC name of 6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole (CID 115470830) is 6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole.
What is the SMILES notation for 6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole?
The canonical SMILES for 6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole is ClCc1nc2ccc(Cl)cc2n1C1CCCC1.
What is the InChIKey of 6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole?
The InChIKey is OJPBYYVSCKLHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c14-8-13-16-11-6-5-9(15)7-12(11)17(13)10-3-1-2-4-10/h5-7,10H,1-4,8H2.
What are the key properties of 6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole?
6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole has a molecular weight of 269.17 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole is sourced from PubChem (CID 115470830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).