4-chloro-2-(chloromethyl)-1-(1-cyclopropylpyrrolidin-3-yl)benzimidazole

C15H17Cl2N3 — CID 104837942

IUPAC4-chloro-2-(chloromethyl)-1-(1-cyclopropylpyrrolidin-3-yl)benzimidazole
SMILESClCc1nc2c(Cl)cccc2n1C1CCN(C2CC2)C1
InChIInChI=1S/C15H17Cl2N3/c16-8-14-18-15-12(17)2-1-3-13(15)20(14)11-6-7-19(9-11)10-4-5-10/h1-3,10-11H,4-9H2
InChIKeyCLMZPGWNWKUTSF-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.84
Rot. Bonds3

About 4-chloro-2-(chloromethyl)-1-(1-cyclopropylpyrrolidin-3-yl)benzimidazole

4-chloro-2-(chloromethyl)-1-(1-cyclopropylpyrrolidin-3-yl)benzimidazole (PubChem CID 104837942) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 4-chloro-2-(chloromethyl)-1-(1-cyclopropylpyrrolidin-3-yl)benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(chloromethyl)-1-(1-cyclopropylpyrrolidin-3-yl)benzimidazole
PubChem CID104837942
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC Name4-chloro-2-(chloromethyl)-1-(1-cyclopropylpyrrolidin-3-yl)benzimidazole
SMILESClCc1nc2c(Cl)cccc2n1C1CCN(C2CC2)C1
InChIInChI=1S/C15H17Cl2N3/c16-8-14-18-15-12(17)2-1-3-13(15)20(14)11-6-7-19(9-11)10-4-5-10/h1-3,10-11H,4-9H2
InChIKeyCLMZPGWNWKUTSF-UHFFFAOYSA-N
XLogP3.84
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-2-(chloromethyl)-1-(1-cyclopropylpyrrolidin-3-yl)benzimidazole 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

4-chloro-2-(chloromethyl)-1-(1-methylpyrrolidin-3-yl)benzimidazole
CID 104837772
4-chloro-2-(chloromethyl)-1-(oxan-4-yl)benzimidazole
CID 104837704
4-chloro-2-(2-chloroethyl)-1-(1-methylpyrrolidin-3-yl)benzimidazole
CID 104837771
4-chloro-2-(chloromethyl)-1-(1,3-dimethylpiperidin-4-yl)benzimidazole
CID 114505094
4-chloro-2-(2-chloroethyl)-1-cyclobutylbenzimidazole
CID 104838040
4-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]pyrrolidin-2-one
CID 106187717
2-(chloromethyl)-1-(1-cyclopropylpyrrolidin-3-yl)-5-iodobenzimidazole
CID 66082440
4-chloro-2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole
CID 104838303
2-(chloromethyl)-4-fluoro-1-(1-methylpiperidin-4-yl)benzimidazole
CID 60788770
6-bromo-2-(chloromethyl)-1-(1-cyclopropylpyrrolidin-3-yl)-5-fluorobenzimidazole
CID 116738949
2-(chloromethyl)-4-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole
CID 61222380
4-chloro-2-(chloromethyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 104838062

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(chloromethyl)-1-(1-cyclopropylpyrrolidin-3-yl)benzimidazole?
The IUPAC name of 4-chloro-2-(chloromethyl)-1-(1-cyclopropylpyrrolidin-3-yl)benzimidazole (CID 104837942) is 4-chloro-2-(chloromethyl)-1-(1-cyclopropylpyrrolidin-3-yl)benzimidazole.
What is the SMILES notation for 4-chloro-2-(chloromethyl)-1-(1-cyclopropylpyrrolidin-3-yl)benzimidazole?
The canonical SMILES for 4-chloro-2-(chloromethyl)-1-(1-cyclopropylpyrrolidin-3-yl)benzimidazole is ClCc1nc2c(Cl)cccc2n1C1CCN(C2CC2)C1.
What is the InChIKey of 4-chloro-2-(chloromethyl)-1-(1-cyclopropylpyrrolidin-3-yl)benzimidazole?
The InChIKey is CLMZPGWNWKUTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c16-8-14-18-15-12(17)2-1-3-13(15)20(14)11-6-7-19(9-11)10-4-5-10/h1-3,10-11H,4-9H2.
What are the key properties of 4-chloro-2-(chloromethyl)-1-(1-cyclopropylpyrrolidin-3-yl)benzimidazole?
4-chloro-2-(chloromethyl)-1-(1-cyclopropylpyrrolidin-3-yl)benzimidazole has a molecular weight of 310.23 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(chloromethyl)-1-(1-cyclopropylpyrrolidin-3-yl)benzimidazole is sourced from PubChem (CID 104837942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).