2-(2-chlorophenyl)-1-propylbenzimidazole

C16H15ClN2 — CID 4637054

IUPAC2-(2-chlorophenyl)-1-propylbenzimidazole
SMILESCCCn1c(-c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C16H15ClN2/c1-2-11-19-15-10-6-5-9-14(15)18-16(19)12-7-3-4-8-13(12)17/h3-10H,2,11H2,1H3
InChIKeyBOHZCUKKUIMHBR-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.77
Rot. Bonds3

About 2-(2-chlorophenyl)-1-propylbenzimidazole

2-(2-chlorophenyl)-1-propylbenzimidazole (PubChem CID 4637054) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-propylbenzimidazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-propylbenzimidazole
PubChem CID4637054
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name2-(2-chlorophenyl)-1-propylbenzimidazole
SMILESCCCn1c(-c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C16H15ClN2/c1-2-11-19-15-10-6-5-9-14(15)18-16(19)12-7-3-4-8-13(12)17/h3-10H,2,11H2,1H3
InChIKeyBOHZCUKKUIMHBR-UHFFFAOYSA-N
XLogP4.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-heptylbenzimidazole
CID 18878773
2-(2,4-dichlorophenyl)-1-propylbenzimidazole
CID 16987669
2-(2-chlorophenyl)-1-(2-methylbutyl)benzimidazole
CID 18878777
2-(2-chlorophenyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 3596016
2-(2-chlorophenyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole
CID 5136193
2-(2-chlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole
CID 17002142
2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 18878785
2-(2-chlorophenyl)-1-(2-cyclohexylethyl)benzimidazole
CID 5238000
2-(2-chlorophenyl)-1-[4-(4-methoxyphenoxy)butyl]benzimidazole
CID 17002175
2-(2-chlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 17002176
1-[(4-bromophenyl)methyl]-2-(2-chlorophenyl)benzimidazole
CID 17002114
3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile
CID 82144793

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-propylbenzimidazole?
The IUPAC name of 2-(2-chlorophenyl)-1-propylbenzimidazole (CID 4637054) is 2-(2-chlorophenyl)-1-propylbenzimidazole.
What is the SMILES notation for 2-(2-chlorophenyl)-1-propylbenzimidazole?
The canonical SMILES for 2-(2-chlorophenyl)-1-propylbenzimidazole is CCCn1c(-c2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 2-(2-chlorophenyl)-1-propylbenzimidazole?
The InChIKey is BOHZCUKKUIMHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-2-11-19-15-10-6-5-9-14(15)18-16(19)12-7-3-4-8-13(12)17/h3-10H,2,11H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-propylbenzimidazole?
2-(2-chlorophenyl)-1-propylbenzimidazole has a molecular weight of 270.76 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-propylbenzimidazole is sourced from PubChem (CID 4637054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).