2-(3-chloropropyl)-1-cyclopropyl-5-methylbenzimidazole

C14H17ClN2 — CID 60783894

IUPAC2-(3-chloropropyl)-1-cyclopropyl-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCCCl)n2C1CC1
InChIInChI=1S/C14H17ClN2/c1-10-4-7-13-12(9-10)16-14(3-2-8-15)17(13)11-5-6-11/h4,7,9,11H,2-3,5-6,8H2,1H3
InChIKeyUILDLUYIALXMCE-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.85
Rot. Bonds4

About 2-(3-chloropropyl)-1-cyclopropyl-5-methylbenzimidazole

2-(3-chloropropyl)-1-cyclopropyl-5-methylbenzimidazole (PubChem CID 60783894) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 2-(3-chloropropyl)-1-cyclopropyl-5-methylbenzimidazole.

Molecular Properties

Compound Name2-(3-chloropropyl)-1-cyclopropyl-5-methylbenzimidazole
PubChem CID60783894
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name2-(3-chloropropyl)-1-cyclopropyl-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCCCl)n2C1CC1
InChIInChI=1S/C14H17ClN2/c1-10-4-7-13-12(9-10)16-14(3-2-8-15)17(13)11-5-6-11/h4,7,9,11H,2-3,5-6,8H2,1H3
InChIKeyUILDLUYIALXMCE-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-chloropropyl)-1-cyclopropyl-5-methylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole
CID 43666518
2-(2-chloroethyl)-1-cycloheptyl-5-methylbenzimidazole
CID 43667427
2-(chloromethyl)-1-cyclobutyl-5-methylbenzimidazole
CID 62413831
5-chloro-2-(4-chlorobutyl)-1-cyclopropylbenzimidazole
CID 54919972
3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)propanoic acid
CID 60784983
5-[2-(2-chloroethyl)-5-methylbenzimidazol-1-yl]-1-methylpiperidin-2-one
CID 64667815
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine
CID 60785360
1-[(1-cyclopropyl-5-methylbenzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 79846795
2-(chloromethyl)-5-methyl-1-(1-methylpyrrolidin-3-yl)benzimidazole
CID 54949887
2-(chloromethyl)-5-methyl-1-(thiolan-3-yl)benzimidazole
CID 103063828
6-(5-chloro-1-cyclopropylbenzimidazol-2-yl)hexan-1-amine
CID 60783944
2-(2-chloroethyl)-1-(cyclopropylmethyl)-5-methylbenzimidazole
CID 43666106

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-1-cyclopropyl-5-methylbenzimidazole?
The IUPAC name of 2-(3-chloropropyl)-1-cyclopropyl-5-methylbenzimidazole (CID 60783894) is 2-(3-chloropropyl)-1-cyclopropyl-5-methylbenzimidazole.
What is the SMILES notation for 2-(3-chloropropyl)-1-cyclopropyl-5-methylbenzimidazole?
The canonical SMILES for 2-(3-chloropropyl)-1-cyclopropyl-5-methylbenzimidazole is Cc1ccc2c(c1)nc(CCCCl)n2C1CC1.
What is the InChIKey of 2-(3-chloropropyl)-1-cyclopropyl-5-methylbenzimidazole?
The InChIKey is UILDLUYIALXMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-10-4-7-13-12(9-10)16-14(3-2-8-15)17(13)11-5-6-11/h4,7,9,11H,2-3,5-6,8H2,1H3.
What are the key properties of 2-(3-chloropropyl)-1-cyclopropyl-5-methylbenzimidazole?
2-(3-chloropropyl)-1-cyclopropyl-5-methylbenzimidazole has a molecular weight of 248.76 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-1-cyclopropyl-5-methylbenzimidazole is sourced from PubChem (CID 60783894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).