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

C14H17ClN2 — CID 43666106

IUPAC2-(2-chloroethyl)-1-(cyclopropylmethyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCCl)n2CC1CC1
InChIInChI=1S/C14H17ClN2/c1-10-2-5-13-12(8-10)16-14(6-7-15)17(13)9-11-3-4-11/h2,5,8,11H,3-4,6-7,9H2,1H3
InChIKeySBLXYBZNOFUZII-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.54
Rot. Bonds4

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

2-(2-chloroethyl)-1-(cyclopropylmethyl)-5-methylbenzimidazole (PubChem CID 43666106) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(cyclopropylmethyl)-5-methylbenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(cyclopropylmethyl)-5-methylbenzimidazole
PubChem CID43666106
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name2-(2-chloroethyl)-1-(cyclopropylmethyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCCl)n2CC1CC1
InChIInChI=1S/C14H17ClN2/c1-10-2-5-13-12(8-10)16-14(6-7-15)17(13)9-11-3-4-11/h2,5,8,11H,3-4,6-7,9H2,1H3
InChIKeySBLXYBZNOFUZII-UHFFFAOYSA-N
XLogP3.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.54
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-(2-chloroethyl)-1-(cyclohexylmethyl)-5-methylbenzimidazole
CID 43667524
2-(2-chloroethyl)-5-methyl-1-[(2-methylcyclopropyl)methyl]benzimidazole
CID 113463978
2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole
CID 43666424
5-chloro-2-(2-chloroethyl)-1-(cyclopropylmethyl)-6-fluorobenzimidazole
CID 66077348
2-(2-chloroethyl)-3-(cyclobutylmethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301428
2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-fluoro-6-methylbenzimidazole
CID 103593396
2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole
CID 43666518
2-(2-chloroethyl)-1-cycloheptyl-5-methylbenzimidazole
CID 43667427
2-(2-chloroethyl)-5-methyl-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole
CID 62847056
2-(chloromethyl)-5-methyl-1-(thiolan-2-ylmethyl)benzimidazole
CID 80585735
5-bromo-2-(2-chloroethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazole
CID 60855956
1-(cyclopentylmethyl)-5-methylbenzimidazol-2-amine
CID 43662072

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(cyclopropylmethyl)-5-methylbenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(cyclopropylmethyl)-5-methylbenzimidazole (CID 43666106) is 2-(2-chloroethyl)-1-(cyclopropylmethyl)-5-methylbenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(cyclopropylmethyl)-5-methylbenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(cyclopropylmethyl)-5-methylbenzimidazole is Cc1ccc2c(c1)nc(CCCl)n2CC1CC1.
What is the InChIKey of 2-(2-chloroethyl)-1-(cyclopropylmethyl)-5-methylbenzimidazole?
The InChIKey is SBLXYBZNOFUZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-10-2-5-13-12(8-10)16-14(6-7-15)17(13)9-11-3-4-11/h2,5,8,11H,3-4,6-7,9H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-(cyclopropylmethyl)-5-methylbenzimidazole?
2-(2-chloroethyl)-1-(cyclopropylmethyl)-5-methylbenzimidazole has a molecular weight of 248.76 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(cyclopropylmethyl)-5-methylbenzimidazole is sourced from PubChem (CID 43666106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).