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

C16H15Cl2N3 — CID 43667598

IUPAC7-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole
SMILESCC(c1ccccn1)n1c(CCCl)nc2cccc(Cl)c21
InChIInChI=1S/C16H15Cl2N3/c1-11(13-6-2-3-10-19-13)21-15(8-9-17)20-14-7-4-5-12(18)16(14)21/h2-7,10-11H,8-9H2,1H3
InChIKeyNGZOQNYDMJWMHT-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.48
Rot. Bonds4

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

7-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole (PubChem CID 43667598) has the molecular formula C16H15Cl2N3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 7-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole
PubChem CID43667598
Molecular FormulaC16H15Cl2N3
Molecular Weight320.22 g/mol
Exact Mass319.06
IUPAC Name7-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole
SMILESCC(c1ccccn1)n1c(CCCl)nc2cccc(Cl)c21
InChIInChI=1S/C16H15Cl2N3/c1-11(13-6-2-3-10-19-13)21-15(8-9-17)20-14-7-4-5-12(18)16(14)21/h2-7,10-11H,8-9H2,1H3
InChIKeyNGZOQNYDMJWMHT-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
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-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole
CID 43667590
7-chloro-2-(2-chloroethyl)-1-[1-(5-chlorothiophen-2-yl)ethyl]benzimidazole
CID 63547181
7-chloro-2-(2-chloroethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole
CID 63545596
7-chloro-2-(2-chloroethyl)-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazole
CID 62117573
2-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide
CID 43667658
7-chloro-2-(2-chloroethyl)-1-(1-methylsulfonylpropan-2-yl)benzimidazole
CID 64643619
7-chloro-2-(2-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole
CID 43667107
3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)propanoic acid
CID 54920211
7-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole
CID 61477720
7-chloro-2-(chloromethyl)-1-(3-methylpentan-2-yl)benzimidazole
CID 63545399
2-(2-chloroethyl)-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79273103
2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole
CID 43666303

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole?
The IUPAC name of 7-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole (CID 43667598) is 7-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole.
What is the SMILES notation for 7-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole?
The canonical SMILES for 7-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole is CC(c1ccccn1)n1c(CCCl)nc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole?
The InChIKey is NGZOQNYDMJWMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3/c1-11(13-6-2-3-10-19-13)21-15(8-9-17)20-14-7-4-5-12(18)16(14)21/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 7-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole?
7-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole has a molecular weight of 320.22 g/mol, XLogP of 4.48, 4 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-(1-pyridin-2-ylethyl)benzimidazole is sourced from PubChem (CID 43667598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).