1-[3-(4-chlorophenyl)propyl]-2-methylbenzimidazole

C17H17ClN2 — CID 134123820

IUPAC1-[3-(4-chlorophenyl)propyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1CCCc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2/c1-13-19-16-6-2-3-7-17(16)20(13)12-4-5-14-8-10-15(18)11-9-14/h2-3,6-11H,4-5,12H2,1H3
InChIKeyOVADYZUOCIHVJW-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.63
Rot. Bonds4

About 1-[3-(4-chlorophenyl)propyl]-2-methylbenzimidazole

1-[3-(4-chlorophenyl)propyl]-2-methylbenzimidazole (PubChem CID 134123820) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)propyl]-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)propyl]-2-methylbenzimidazole
PubChem CID134123820
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name1-[3-(4-chlorophenyl)propyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1CCCc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2/c1-13-19-16-6-2-3-7-17(16)20(13)12-4-5-14-8-10-15(18)11-9-14/h2-3,6-11H,4-5,12H2,1H3
InChIKeyOVADYZUOCIHVJW-UHFFFAOYSA-N
XLogP4.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide
CID 51336912
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 55340316
2-methyl-1-(3-phenylpropyl)benzimidazol-5-amine
CID 62506548
2-(1-chloroethyl)-1-[2-(4-chlorophenyl)ethyl]benzimidazole
CID 63545217
2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole
CID 5095173
1-[(4-chlorophenyl)methyl]-2-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 111131144
1-(4-methoxybutyl)-2-methylbenzimidazole
CID 104649828
4-(2-methylbenzimidazol-1-yl)butanenitrile
CID 24690449
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
2-methyl-1-[2-[1-(3-phenylpropyl)piperidin-4-yl]ethyl]benzimidazole
CID 18928700
1-(3-ethylsulfonylpropyl)-2-methylbenzimidazole
CID 79762327
2-methyl-1-(3-methylsulfonylpropyl)benzimidazole
CID 79760730

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)propyl]-2-methylbenzimidazole?
The IUPAC name of 1-[3-(4-chlorophenyl)propyl]-2-methylbenzimidazole (CID 134123820) is 1-[3-(4-chlorophenyl)propyl]-2-methylbenzimidazole.
What is the SMILES notation for 1-[3-(4-chlorophenyl)propyl]-2-methylbenzimidazole?
The canonical SMILES for 1-[3-(4-chlorophenyl)propyl]-2-methylbenzimidazole is Cc1nc2ccccc2n1CCCc1ccc(Cl)cc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)propyl]-2-methylbenzimidazole?
The InChIKey is OVADYZUOCIHVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c1-13-19-16-6-2-3-7-17(16)20(13)12-4-5-14-8-10-15(18)11-9-14/h2-3,6-11H,4-5,12H2,1H3.
What are the key properties of 1-[3-(4-chlorophenyl)propyl]-2-methylbenzimidazole?
1-[3-(4-chlorophenyl)propyl]-2-methylbenzimidazole has a molecular weight of 284.79 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)propyl]-2-methylbenzimidazole is sourced from PubChem (CID 134123820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).