6-chloro-2-ethyl-1-propylbenzimidazole

C12H15ClN2 — CID 46310724

IUPAC6-chloro-2-ethyl-1-propylbenzimidazole
SMILESCCCn1c(CC)nc2ccc(Cl)cc21
InChIInChI=1S/C12H15ClN2/c1-3-7-15-11-8-9(13)5-6-10(11)14-12(15)4-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyOHEWUBGOVOQXCY-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.66
Rot. Bonds3

About 6-chloro-2-ethyl-1-propylbenzimidazole

6-chloro-2-ethyl-1-propylbenzimidazole (PubChem CID 46310724) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 6-chloro-2-ethyl-1-propylbenzimidazole.

Molecular Properties

Compound Name6-chloro-2-ethyl-1-propylbenzimidazole
PubChem CID46310724
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name6-chloro-2-ethyl-1-propylbenzimidazole
SMILESCCCn1c(CC)nc2ccc(Cl)cc21
InChIInChI=1S/C12H15ClN2/c1-3-7-15-11-8-9(13)5-6-10(11)14-12(15)4-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyOHEWUBGOVOQXCY-UHFFFAOYSA-N
XLogP3.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-chloro-2-ethyl-1-propylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-ethyl-1-propylbenzimidazole
CID 46310723
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
CID 115472958
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]butan-2-amine
CID 115472928
2-ethyl-5,6-dimethyl-1-propylbenzimidazole
CID 143667898
6-chloro-2-(2-chloroethyl)-1-(3-methylbutyl)benzimidazole
CID 113316238
2-(6-chloro-1-propylbenzimidazol-2-yl)butan-2-amine
CID 115472892
2-(chloromethyl)-6-fluoro-1-propylbenzimidazole
CID 62378241
1-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylpropan-1-amine
CID 113316618
1-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylmethanamine
CID 46310511
6-chloro-2-[(4-chlorophenyl)methyl]-1-ethylbenzimidazole
CID 46310462
1-(6-chloro-1-propylbenzimidazol-2-yl)cyclobutan-1-amine
CID 113316624
3-amino-1-(6-chloro-1-propylbenzimidazol-2-yl)propan-1-ol
CID 107835456

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-1-propylbenzimidazole?
The IUPAC name of 6-chloro-2-ethyl-1-propylbenzimidazole (CID 46310724) is 6-chloro-2-ethyl-1-propylbenzimidazole.
What is the SMILES notation for 6-chloro-2-ethyl-1-propylbenzimidazole?
The canonical SMILES for 6-chloro-2-ethyl-1-propylbenzimidazole is CCCn1c(CC)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-ethyl-1-propylbenzimidazole?
The InChIKey is OHEWUBGOVOQXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-3-7-15-11-8-9(13)5-6-10(11)14-12(15)4-2/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 6-chloro-2-ethyl-1-propylbenzimidazole?
6-chloro-2-ethyl-1-propylbenzimidazole has a molecular weight of 222.72 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-1-propylbenzimidazole is sourced from PubChem (CID 46310724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).