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

C16H16ClN3 — CID 43667584

IUPAC2-(2-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole
SMILESCC(c1ccncc1)n1c(CCCl)nc2ccccc21
InChIInChI=1S/C16H16ClN3/c1-12(13-7-10-18-11-8-13)20-15-5-3-2-4-14(15)19-16(20)6-9-17/h2-5,7-8,10-12H,6,9H2,1H3
InChIKeySCFSEYIDNQVMGY-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.82
Rot. Bonds4

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

2-(2-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole (PubChem CID 43667584) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole
PubChem CID43667584
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name2-(2-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole
SMILESCC(c1ccncc1)n1c(CCCl)nc2ccccc21
InChIInChI=1S/C16H16ClN3/c1-12(13-7-10-18-11-8-13)20-15-5-3-2-4-14(15)19-16(20)6-9-17/h2-5,7-8,10-12H,6,9H2,1H3
InChIKeySCFSEYIDNQVMGY-UHFFFAOYSA-N
XLogP3.82
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.82
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

2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole
CID 43666303
2-(2-chloroethyl)-5-iodo-1-(1-pyridin-4-ylethyl)benzimidazole
CID 66080837
2-(2-chloroethyl)-1-(3-ethylpentan-2-yl)benzimidazole
CID 63838567
2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
CID 962439
2-(2-chloroethyl)-1-(1-thiophen-2-ylethyl)imidazo[4,5-c]pyridine
CID 79292021
2-(2-chloroethyl)-1-(4-methylsulfanylbutan-2-yl)benzimidazole
CID 113477871
2-(2-chloroethyl)-3-propan-2-ylimidazo[4,5-c]pyridine
CID 130597330
2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole
CID 975484
2-(chloromethyl)-7-methyl-1-(1-pyridin-4-ylethyl)benzimidazole
CID 115553000
5-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole
CID 43667590
2-(2-chloroethyl)-1-(1-phenylpropan-2-yl)imidazo[4,5-c]pyridine
CID 79273060
2-[2-(2-chloroethyl)benzimidazol-1-yl]-N-ethyl-N-methylpropanamide
CID 103112366

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole (CID 43667584) is 2-(2-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole is CC(c1ccncc1)n1c(CCCl)nc2ccccc21.
What is the InChIKey of 2-(2-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole?
The InChIKey is SCFSEYIDNQVMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-12(13-7-10-18-11-8-13)20-15-5-3-2-4-14(15)19-16(20)6-9-17/h2-5,7-8,10-12H,6,9H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole?
2-(2-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole has a molecular weight of 285.78 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole is sourced from PubChem (CID 43667584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).