6-chloro-2-(2-chloroethyl)-1-(cyclopentylmethyl)benzimidazole

C15H18Cl2N2 — CID 115471068

IUPAC6-chloro-2-(2-chloroethyl)-1-(cyclopentylmethyl)benzimidazole
SMILESClCCc1nc2ccc(Cl)cc2n1CC1CCCC1
InChIInChI=1S/C15H18Cl2N2/c16-8-7-15-18-13-6-5-12(17)9-14(13)19(15)10-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,10H2
InChIKeyFGCLHSHNTSRTNY-UHFFFAOYSA-N
MW297.23 g/mol
LogP4.66
Rot. Bonds4

About 6-chloro-2-(2-chloroethyl)-1-(cyclopentylmethyl)benzimidazole

6-chloro-2-(2-chloroethyl)-1-(cyclopentylmethyl)benzimidazole (PubChem CID 115471068) has the molecular formula C15H18Cl2N2 and a molecular weight of 297.23 g/mol. Its IUPAC name is 6-chloro-2-(2-chloroethyl)-1-(cyclopentylmethyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(2-chloroethyl)-1-(cyclopentylmethyl)benzimidazole
PubChem CID115471068
Molecular FormulaC15H18Cl2N2
Molecular Weight297.23 g/mol
Exact Mass296.08
IUPAC Name6-chloro-2-(2-chloroethyl)-1-(cyclopentylmethyl)benzimidazole
SMILESClCCc1nc2ccc(Cl)cc2n1CC1CCCC1
InChIInChI=1S/C15H18Cl2N2/c16-8-7-15-18-13-6-5-12(17)9-14(13)19(15)10-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,10H2
InChIKeyFGCLHSHNTSRTNY-UHFFFAOYSA-N
XLogP4.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 54.66
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

5-bromo-2-(2-chloroethyl)-1-(cyclopentylmethyl)-6-fluorobenzimidazole
CID 66088505
2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-methylbenzimidazole
CID 43667524
2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-fluoro-6-methylbenzimidazole
CID 103593396
5-chloro-2-(2-chloroethyl)-1-(cyclopropylmethyl)-6-fluorobenzimidazole
CID 66077348
2-(2-chloroethyl)-1-(cyclobutylmethyl)-6,7-difluorobenzimidazole
CID 55086323
6-chloro-2-(chloromethyl)-1-(oxolan-3-ylmethyl)benzimidazole
CID 113316358
6-chloro-2-(chloromethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazole
CID 115471136
6-chloro-1-(cyclopropylmethyl)-2-methylbenzimidazole
CID 134083712
2-(2-chloroethyl)-1-(cyclopropylmethyl)-5-methylbenzimidazole
CID 43666106
6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole
CID 115471062
4-chloro-2-(2-chloroethyl)-1-(cyclohexylmethyl)benzimidazole
CID 104837648
5-chloro-2-(2-chloroethyl)-1-[(2-methylcyclopentyl)methyl]benzimidazole
CID 107419697

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-chloroethyl)-1-(cyclopentylmethyl)benzimidazole?
The IUPAC name of 6-chloro-2-(2-chloroethyl)-1-(cyclopentylmethyl)benzimidazole (CID 115471068) is 6-chloro-2-(2-chloroethyl)-1-(cyclopentylmethyl)benzimidazole.
What is the SMILES notation for 6-chloro-2-(2-chloroethyl)-1-(cyclopentylmethyl)benzimidazole?
The canonical SMILES for 6-chloro-2-(2-chloroethyl)-1-(cyclopentylmethyl)benzimidazole is ClCCc1nc2ccc(Cl)cc2n1CC1CCCC1.
What is the InChIKey of 6-chloro-2-(2-chloroethyl)-1-(cyclopentylmethyl)benzimidazole?
The InChIKey is FGCLHSHNTSRTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2/c16-8-7-15-18-13-6-5-12(17)9-14(13)19(15)10-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,10H2.
What are the key properties of 6-chloro-2-(2-chloroethyl)-1-(cyclopentylmethyl)benzimidazole?
6-chloro-2-(2-chloroethyl)-1-(cyclopentylmethyl)benzimidazole has a molecular weight of 297.23 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-chloroethyl)-1-(cyclopentylmethyl)benzimidazole is sourced from PubChem (CID 115471068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).