2-[(3-chloro-1-methylcyclopentyl)methyl]-1-ethylbenzimidazole

C16H21ClN2 — CID 116540367

IUPAC2-[(3-chloro-1-methylcyclopentyl)methyl]-1-ethylbenzimidazole
SMILESCCn1c(CC2(C)CCC(Cl)C2)nc2ccccc21
InChIInChI=1S/C16H21ClN2/c1-3-19-14-7-5-4-6-13(14)18-15(19)11-16(2)9-8-12(17)10-16/h4-7,12H,3,8-11H2,1-2H3
InChIKeyLXPWEXUKGOOFAR-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.40
Rot. Bonds3

About 2-[(3-chloro-1-methylcyclopentyl)methyl]-1-ethylbenzimidazole

2-[(3-chloro-1-methylcyclopentyl)methyl]-1-ethylbenzimidazole (PubChem CID 116540367) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 2-[(3-chloro-1-methylcyclopentyl)methyl]-1-ethylbenzimidazole.

Molecular Properties

Compound Name2-[(3-chloro-1-methylcyclopentyl)methyl]-1-ethylbenzimidazole
PubChem CID116540367
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name2-[(3-chloro-1-methylcyclopentyl)methyl]-1-ethylbenzimidazole
SMILESCCn1c(CC2(C)CCC(Cl)C2)nc2ccccc21
InChIInChI=1S/C16H21ClN2/c1-3-19-14-7-5-4-6-13(14)18-15(19)11-16(2)9-8-12(17)10-16/h4-7,12H,3,8-11H2,1-2H3
InChIKeyLXPWEXUKGOOFAR-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
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

3-[(1-ethylbenzimidazol-2-yl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 116539036
1-[(1-ethylbenzimidazol-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-ol
CID 106663718
1-(2,2-dimethylcyclopropyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 107003948
1-[(1-ethylbenzimidazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol
CID 79755052
1-[(1-ethylbenzimidazol-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 79755494
1-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 79755493
3-ethoxy-1-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 106823434
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclopentyl)ethanone
CID 115782680
1-ethyl-2-[(2-ethylazepan-2-yl)methyl]benzimidazole
CID 79757203
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclobutan-1-amine
CID 115765848
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 61366163
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-1-methylcyclopentyl)methyl]-1-ethylbenzimidazole?
The IUPAC name of 2-[(3-chloro-1-methylcyclopentyl)methyl]-1-ethylbenzimidazole (CID 116540367) is 2-[(3-chloro-1-methylcyclopentyl)methyl]-1-ethylbenzimidazole.
What is the SMILES notation for 2-[(3-chloro-1-methylcyclopentyl)methyl]-1-ethylbenzimidazole?
The canonical SMILES for 2-[(3-chloro-1-methylcyclopentyl)methyl]-1-ethylbenzimidazole is CCn1c(CC2(C)CCC(Cl)C2)nc2ccccc21.
What is the InChIKey of 2-[(3-chloro-1-methylcyclopentyl)methyl]-1-ethylbenzimidazole?
The InChIKey is LXPWEXUKGOOFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-3-19-14-7-5-4-6-13(14)18-15(19)11-16(2)9-8-12(17)10-16/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of 2-[(3-chloro-1-methylcyclopentyl)methyl]-1-ethylbenzimidazole?
2-[(3-chloro-1-methylcyclopentyl)methyl]-1-ethylbenzimidazole has a molecular weight of 276.81 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-1-methylcyclopentyl)methyl]-1-ethylbenzimidazole is sourced from PubChem (CID 116540367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).