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

C16H15Cl2N3 — CID 43667590

IUPAC5-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole
SMILESCC(c1ccccn1)n1c(CCCl)nc2cc(Cl)ccc21
InChIInChI=1S/C16H15Cl2N3/c1-11(13-4-2-3-9-19-13)21-15-6-5-12(18)10-14(15)20-16(21)7-8-17/h2-6,9-11H,7-8H2,1H3
InChIKeyTUAJGDAECXBEDN-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.48
Rot. Bonds4

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

5-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole (PubChem CID 43667590) has the molecular formula C16H15Cl2N3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 5-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole
PubChem CID43667590
Molecular FormulaC16H15Cl2N3
Molecular Weight320.22 g/mol
Exact Mass319.06
IUPAC Name5-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole
SMILESCC(c1ccccn1)n1c(CCCl)nc2cc(Cl)ccc21
InChIInChI=1S/C16H15Cl2N3/c1-11(13-4-2-3-9-19-13)21-15-6-5-12(18)10-14(15)20-16(21)7-8-17/h2-6,9-11H,7-8H2,1H3
InChIKeyTUAJGDAECXBEDN-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

7-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole
CID 43667598
5-chloro-2-(2-chloroethyl)-1-(3-methylbutan-2-yl)benzimidazole
CID 43666604
5-chloro-2-(2-chloroethyl)-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazole
CID 62119224
5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 43659782
2-(chloromethyl)-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazole
CID 62378078
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310662
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanol
CID 83868113
2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole
CID 43666303
2-(2-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole
CID 43667584
5-chloro-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 66109631
5-chloro-2-(phenoxymethyl)-1-propan-2-ylbenzimidazole
CID 46310630
2-(2-chloroethyl)-5-iodo-1-(1-pyridin-4-ylethyl)benzimidazole
CID 66080837

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole?
The IUPAC name of 5-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole (CID 43667590) is 5-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole.
What is the SMILES notation for 5-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole?
The canonical SMILES for 5-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole is CC(c1ccccn1)n1c(CCCl)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole?
The InChIKey is TUAJGDAECXBEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3/c1-11(13-4-2-3-9-19-13)21-15-6-5-12(18)10-14(15)20-16(21)7-8-17/h2-6,9-11H,7-8H2,1H3.
What are the key properties of 5-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole?
5-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 5-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole is sourced from PubChem (CID 43667590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).