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

C16H15Cl2N3 — CID 60914985

IUPAC7-chloro-2-(2-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole
SMILESClCCc1nc2cccc(Cl)c2n1CCc1cccnc1
InChIInChI=1S/C16H15Cl2N3/c17-8-6-15-20-14-5-1-4-13(18)16(14)21(15)10-7-12-3-2-9-19-11-12/h1-5,9,11H,6-8,10H2
InChIKeyVEWZFLLGBMDGLG-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.11
Rot. Bonds5

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

7-chloro-2-(2-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole (PubChem CID 60914985) has the molecular formula C16H15Cl2N3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 7-chloro-2-(2-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(2-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole
PubChem CID60914985
Molecular FormulaC16H15Cl2N3
Molecular Weight320.22 g/mol
Exact Mass319.06
IUPAC Name7-chloro-2-(2-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole
SMILESClCCc1nc2cccc(Cl)c2n1CCc1cccnc1
InChIInChI=1S/C16H15Cl2N3/c17-8-6-15-20-14-5-1-4-13(18)16(14)21(15)10-7-12-3-2-9-19-11-12/h1-5,9,11H,6-8,10H2
InChIKeyVEWZFLLGBMDGLG-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'}

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Related Compounds

7-chloro-2-(1-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole
CID 60914806
7-chloro-2-(2-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole
CID 61460982
7-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole
CID 61472841
2-(2-chloroethyl)-6-methyl-3-(2-pyridin-3-ylethyl)imidazo[4,5-b]pyridine
CID 79278369
7-chloro-2-(2-chloroethyl)-1-(5,5,5-trifluoropentyl)benzimidazole
CID 115521089
4-chloro-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole
CID 104837381
1-[(2-bromophenyl)methyl]-7-chloro-2-(2-chloroethyl)benzimidazole
CID 63545046
4-chloro-2-(1-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole
CID 104837724
5-bromo-2-(2-chloroethyl)-1-(pyridin-3-ylmethyl)benzimidazole
CID 43666644
2-[7-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
CID 43659933
2-(2-chloroethyl)-7-methyl-1-propylbenzimidazole
CID 115552731
7-chloro-2-(chloromethyl)-1-(3-methylbutyl)benzimidazole
CID 43659958

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole?
The IUPAC name of 7-chloro-2-(2-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole (CID 60914985) is 7-chloro-2-(2-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole.
What is the SMILES notation for 7-chloro-2-(2-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole?
The canonical SMILES for 7-chloro-2-(2-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole is ClCCc1nc2cccc(Cl)c2n1CCc1cccnc1.
What is the InChIKey of 7-chloro-2-(2-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole?
The InChIKey is VEWZFLLGBMDGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3/c17-8-6-15-20-14-5-1-4-13(18)16(14)21(15)10-7-12-3-2-9-19-11-12/h1-5,9,11H,6-8,10H2.
What are the key properties of 7-chloro-2-(2-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole?
7-chloro-2-(2-chloroethyl)-1-(2-pyridin-3-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 7-chloro-2-(2-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole is sourced from PubChem (CID 60914985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).