5-chloro-2-(2-chloroethyl)-1-(2-pyridin-4-ylethyl)benzimidazole

C16H15Cl2N3 — CID 60902566

IUPAC5-chloro-2-(2-chloroethyl)-1-(2-pyridin-4-ylethyl)benzimidazole
SMILESClCCc1nc2cc(Cl)ccc2n1CCc1ccncc1
InChIInChI=1S/C16H15Cl2N3/c17-7-3-16-20-14-11-13(18)1-2-15(14)21(16)10-6-12-4-8-19-9-5-12/h1-2,4-5,8-9,11H,3,6-7,10H2
InChIKeyFHTTXWIMVICYKM-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.11
Rot. Bonds5

About 5-chloro-2-(2-chloroethyl)-1-(2-pyridin-4-ylethyl)benzimidazole

5-chloro-2-(2-chloroethyl)-1-(2-pyridin-4-ylethyl)benzimidazole (PubChem CID 60902566) has the molecular formula C16H15Cl2N3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 5-chloro-2-(2-chloroethyl)-1-(2-pyridin-4-ylethyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(2-chloroethyl)-1-(2-pyridin-4-ylethyl)benzimidazole
PubChem CID60902566
Molecular FormulaC16H15Cl2N3
Molecular Weight320.22 g/mol
Exact Mass319.06
IUPAC Name5-chloro-2-(2-chloroethyl)-1-(2-pyridin-4-ylethyl)benzimidazole
SMILESClCCc1nc2cc(Cl)ccc2n1CCc1ccncc1
InChIInChI=1S/C16H15Cl2N3/c17-7-3-16-20-14-11-13(18)1-2-15(14)21(16)10-6-12-4-8-19-9-5-12/h1-2,4-5,8-9,11H,3,6-7,10H2
InChIKeyFHTTXWIMVICYKM-UHFFFAOYSA-N
XLogP4.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-2-(2-chloroethyl)-1-(2-pyridin-4-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

3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 43666496
2-propyl-1-(2-pyridin-4-ylethyl)benzimidazol-5-amine
CID 62506716
3-[2-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole
CID 106420185
5-chloro-2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)benzimidazole
CID 113450562
5-bromo-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole
CID 43666409
5-chloro-2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]benzimidazole
CID 63302249
methyl 3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanoate
CID 61292993
5-chloro-2-(chloromethyl)-1-[2-(3-fluorophenyl)ethyl]benzimidazole
CID 43659788
3-[5-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]propan-1-ol
CID 46308166
6-chloro-3-(2-pyridin-4-ylethyl)-1H-benzimidazole-2-thione
CID 54943845
5-chloro-2-(2-chloroethyl)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzimidazole
CID 62117938
2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethanol
CID 28819102

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-chloroethyl)-1-(2-pyridin-4-ylethyl)benzimidazole?
The IUPAC name of 5-chloro-2-(2-chloroethyl)-1-(2-pyridin-4-ylethyl)benzimidazole (CID 60902566) is 5-chloro-2-(2-chloroethyl)-1-(2-pyridin-4-ylethyl)benzimidazole.
What is the SMILES notation for 5-chloro-2-(2-chloroethyl)-1-(2-pyridin-4-ylethyl)benzimidazole?
The canonical SMILES for 5-chloro-2-(2-chloroethyl)-1-(2-pyridin-4-ylethyl)benzimidazole is ClCCc1nc2cc(Cl)ccc2n1CCc1ccncc1.
What is the InChIKey of 5-chloro-2-(2-chloroethyl)-1-(2-pyridin-4-ylethyl)benzimidazole?
The InChIKey is FHTTXWIMVICYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3/c17-7-3-16-20-14-11-13(18)1-2-15(14)21(16)10-6-12-4-8-19-9-5-12/h1-2,4-5,8-9,11H,3,6-7,10H2.
What are the key properties of 5-chloro-2-(2-chloroethyl)-1-(2-pyridin-4-ylethyl)benzimidazole?
5-chloro-2-(2-chloroethyl)-1-(2-pyridin-4-ylethyl)benzimidazole has a molecular weight of 320.22 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-chloroethyl)-1-(2-pyridin-4-ylethyl)benzimidazole is sourced from PubChem (CID 60902566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).