2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole

C16H21ClN2 — CID 64914844

IUPAC2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole
SMILESCCC1CCC(n2c(CCl)nc3ccccc32)C1C
InChIInChI=1S/C16H21ClN2/c1-3-12-8-9-14(11(12)2)19-15-7-5-4-6-13(15)18-16(19)10-17/h4-7,11-12,14H,3,8-10H2,1-2H3
InChIKeyQBVUHMZJCMXAAP-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.77
Rot. Bonds3

About 2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole

2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole (PubChem CID 64914844) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole
PubChem CID64914844
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole
SMILESCCC1CCC(n2c(CCl)nc3ccccc32)C1C
InChIInChI=1S/C16H21ClN2/c1-3-12-8-9-14(11(12)2)19-15-7-5-4-6-13(15)18-16(19)10-17/h4-7,11-12,14H,3,8-10H2,1-2H3
InChIKeyQBVUHMZJCMXAAP-UHFFFAOYSA-N
XLogP4.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.77
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

4-chloro-2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole
CID 104838303
2-(chloromethyl)-1-cyclobutylbenzimidazole
CID 62416767
2-(2-chloroethyl)-1-(2-methylcyclopropyl)benzimidazole
CID 62409588
2-(2-chloroethyl)-1-(4-methylcyclohexyl)benzimidazole
CID 43666622
2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
CID 112632185
3-(3-ethyl-2-methylcyclopentyl)-1H-benzimidazole-2-thione
CID 64914831
2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4-fluorobenzimidazole
CID 64921459
2-(2-propylbenzimidazol-1-yl)cyclobutane-1-carboxylic acid
CID 112632122
2-(2-ethylbenzimidazol-1-yl)cycloheptan-1-ol
CID 63105437
2-(chloromethyl)-1-[(2-methyloxolan-3-yl)methyl]benzimidazole
CID 114106635
5-[2-(chloromethyl)benzimidazol-1-yl]piperidin-2-one
CID 63661964
2-(chloromethyl)-1-(1-cyclopropylethyl)benzimidazole
CID 43533654

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole (CID 64914844) is 2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole is CCC1CCC(n2c(CCl)nc3ccccc32)C1C.
What is the InChIKey of 2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole?
The InChIKey is QBVUHMZJCMXAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-3-12-8-9-14(11(12)2)19-15-7-5-4-6-13(15)18-16(19)10-17/h4-7,11-12,14H,3,8-10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole?
2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole has a molecular weight of 276.81 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole is sourced from PubChem (CID 64914844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).