7-chloro-2-(1-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole

C16H15Cl2N3 — CID 60914806

IUPAC7-chloro-2-(1-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole
SMILESCC(Cl)c1nc2cccc(Cl)c2n1CCc1cccnc1
InChIInChI=1S/C16H15Cl2N3/c1-11(17)16-20-14-6-2-5-13(18)15(14)21(16)9-7-12-4-3-8-19-10-12/h2-6,8,10-11H,7,9H2,1H3
InChIKeyITFBKPQDTWNXCP-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.63
Rot. Bonds4

About 7-chloro-2-(1-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole

7-chloro-2-(1-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole (PubChem CID 60914806) has the molecular formula C16H15Cl2N3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 7-chloro-2-(1-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(1-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole
PubChem CID60914806
Molecular FormulaC16H15Cl2N3
Molecular Weight320.22 g/mol
Exact Mass319.06
IUPAC Name7-chloro-2-(1-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole
SMILESCC(Cl)c1nc2cccc(Cl)c2n1CCc1cccnc1
InChIInChI=1S/C16H15Cl2N3/c1-11(17)16-20-14-6-2-5-13(18)15(14)21(16)9-7-12-4-3-8-19-10-12/h2-6,8,10-11H,7,9H2,1H3
InChIKeyITFBKPQDTWNXCP-UHFFFAOYSA-N
XLogP4.63
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-chloro-2-(1-chloroethyl)-1-(2-pyridin-3-ylethyl)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-(1-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole
CID 104837724
7-chloro-2-(2-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole
CID 60914985
2-(1-chloroethyl)-5-methyl-3-(2-pyridin-3-ylethyl)imidazo[4,5-b]pyridine
CID 81141754
2-(1-chloroethyl)-7-methyl-1-(pyridin-3-ylmethyl)benzimidazole
CID 115552765
7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole
CID 93303287
7-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole
CID 43666587
7-chloro-2-(1-chloroethyl)-1-pentylbenzimidazole
CID 43666215
3-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 43666503
2-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole
CID 63239967
7-chloro-2-(1-chloroethyl)-1-(3-methylsulfanylpropyl)benzimidazole
CID 63959987
7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylpropyl)benzimidazole
CID 63544860
4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60863795

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(1-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole?
The IUPAC name of 7-chloro-2-(1-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole (CID 60914806) is 7-chloro-2-(1-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole.
What is the SMILES notation for 7-chloro-2-(1-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole?
The canonical SMILES for 7-chloro-2-(1-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole is CC(Cl)c1nc2cccc(Cl)c2n1CCc1cccnc1.
What is the InChIKey of 7-chloro-2-(1-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole?
The InChIKey is ITFBKPQDTWNXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3/c1-11(17)16-20-14-6-2-5-13(18)15(14)21(16)9-7-12-4-3-8-19-10-12/h2-6,8,10-11H,7,9H2,1H3.
What are the key properties of 7-chloro-2-(1-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole?
7-chloro-2-(1-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole has a molecular weight of 320.22 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(1-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole is sourced from PubChem (CID 60914806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).