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

C16H15Cl2N3 — CID 115471085

IUPAC6-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole
SMILESCC(Cl)c1nc2ccc(Cl)cc2n1C(C)c1ccncc1
InChIInChI=1S/C16H15Cl2N3/c1-10(17)16-20-14-4-3-13(18)9-15(14)21(16)11(2)12-5-7-19-8-6-12/h3-11H,1-2H3
InChIKeyFCFVYVQGAWKEHR-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.99
Rot. Bonds3

About 6-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole

6-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole (PubChem CID 115471085) has the molecular formula C16H15Cl2N3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 6-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole
PubChem CID115471085
Molecular FormulaC16H15Cl2N3
Molecular Weight320.22 g/mol
Exact Mass319.06
IUPAC Name6-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole
SMILESCC(Cl)c1nc2ccc(Cl)cc2n1C(C)c1ccncc1
InChIInChI=1S/C16H15Cl2N3/c1-10(17)16-20-14-4-3-13(18)9-15(14)21(16)11(2)12-5-7-19-8-6-12/h3-11H,1-2H3
InChIKeyFCFVYVQGAWKEHR-UHFFFAOYSA-N
XLogP4.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole
CID 43667577
6-bromo-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole
CID 65344800
2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)imidazo[4,5-c]pyridine
CID 79292511
2-(1-chloroethyl)-1-[1-(4-chlorophenyl)ethyl]benzimidazole
CID 63546317
6-chloro-2-(1-chloroethyl)-1-(dicyclopropylmethyl)benzimidazole
CID 115471255
6-chloro-2-(1-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole
CID 115471645
1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310660
ethyl 2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]propanoate
CID 115471261
5-chloro-2-[(1S)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93258606
2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-N-ethylpropanamide
CID 115471241
6-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole
CID 115470825
6-chloro-2-(1-chloroethyl)-1-cyclobutylbenzimidazole
CID 115471442

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole?
The IUPAC name of 6-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole (CID 115471085) is 6-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole.
What is the SMILES notation for 6-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole?
The canonical SMILES for 6-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole is CC(Cl)c1nc2ccc(Cl)cc2n1C(C)c1ccncc1.
What is the InChIKey of 6-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole?
The InChIKey is FCFVYVQGAWKEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3/c1-10(17)16-20-14-4-3-13(18)9-15(14)21(16)11(2)12-5-7-19-8-6-12/h3-11H,1-2H3.
What are the key properties of 6-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole?
6-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole has a molecular weight of 320.22 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole is sourced from PubChem (CID 115471085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).