2-(1-chloroethyl)-1-(2-methoxycyclopentyl)-5-methylbenzimidazole

C16H21ClN2O — CID 62087569

IUPAC2-(1-chloroethyl)-1-(2-methoxycyclopentyl)-5-methylbenzimidazole
SMILESCOC1CCCC1n1c(C(C)Cl)nc2cc(C)ccc21
InChIInChI=1S/C16H21ClN2O/c1-10-7-8-13-12(9-10)18-16(11(2)17)19(13)14-5-4-6-15(14)20-3/h7-9,11,14-15H,4-6H2,1-3H3
InChIKeyMVAASSTXULDJAM-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.38
Rot. Bonds3

About 2-(1-chloroethyl)-1-(2-methoxycyclopentyl)-5-methylbenzimidazole

2-(1-chloroethyl)-1-(2-methoxycyclopentyl)-5-methylbenzimidazole (PubChem CID 62087569) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(2-methoxycyclopentyl)-5-methylbenzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(2-methoxycyclopentyl)-5-methylbenzimidazole
PubChem CID62087569
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name2-(1-chloroethyl)-1-(2-methoxycyclopentyl)-5-methylbenzimidazole
SMILESCOC1CCCC1n1c(C(C)Cl)nc2cc(C)ccc21
InChIInChI=1S/C16H21ClN2O/c1-10-7-8-13-12(9-10)18-16(11(2)17)19(13)14-5-4-6-15(14)20-3/h7-9,11,14-15H,4-6H2,1-3H3
InChIKeyMVAASSTXULDJAM-UHFFFAOYSA-N
XLogP4.38
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxycyclopentyl)-5-methylbenzimidazol-2-amine
CID 62086320
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methoxycyclopentyl)benzimidazole
CID 66112392
2-(1-chloroethyl)-6-fluoro-5-iodo-1-(2-methoxycyclopentyl)benzimidazole
CID 66094060
1-(2-methoxycyclopentyl)-2-propan-2-ylbenzimidazol-5-amine
CID 62506076
2-(1-chloroethyl)-1-(3,3-dimethylcyclopentyl)-5-methylbenzimidazole
CID 114548609
2-(1-chloroethyl)-1-(2-cyclobutylethyl)-5-methylbenzimidazole
CID 113479126
5-chloro-1-(2-methoxycyclopentyl)benzimidazol-2-amine
CID 62086492
2-(1-chloroethyl)-1-(2-cyclopropylpropyl)-5-methylbenzimidazole
CID 113475669
2-(1-chloroethyl)-5-iodo-1-(2-methylcycloheptyl)benzimidazole
CID 66082667
2-(1-chloroethyl)-1-(2-cyclohexylethyl)-5-methylbenzimidazole
CID 63545213
5-bromo-2-(1-chloroethyl)-1-(2-ethylcyclohexyl)benzimidazole
CID 63545226
2-(1-chloroethyl)-1-(4-methoxyphenyl)-5-methylbenzimidazole
CID 43666710

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-(2-methoxycyclopentyl)-5-methylbenzimidazole?
The IUPAC name of 2-(1-chloroethyl)-1-(2-methoxycyclopentyl)-5-methylbenzimidazole (CID 62087569) is 2-(1-chloroethyl)-1-(2-methoxycyclopentyl)-5-methylbenzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-1-(2-methoxycyclopentyl)-5-methylbenzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-1-(2-methoxycyclopentyl)-5-methylbenzimidazole is COC1CCCC1n1c(C(C)Cl)nc2cc(C)ccc21.
What is the InChIKey of 2-(1-chloroethyl)-1-(2-methoxycyclopentyl)-5-methylbenzimidazole?
The InChIKey is MVAASSTXULDJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-10-7-8-13-12(9-10)18-16(11(2)17)19(13)14-5-4-6-15(14)20-3/h7-9,11,14-15H,4-6H2,1-3H3.
What are the key properties of 2-(1-chloroethyl)-1-(2-methoxycyclopentyl)-5-methylbenzimidazole?
2-(1-chloroethyl)-1-(2-methoxycyclopentyl)-5-methylbenzimidazole has a molecular weight of 292.81 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-(2-methoxycyclopentyl)-5-methylbenzimidazole is sourced from PubChem (CID 62087569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).