2-[6-chloro-2-(1-phenylpropyl)benzimidazol-1-yl]ethanol

C18H19ClN2O — CID 46308191

IUPAC2-[6-chloro-2-(1-phenylpropyl)benzimidazol-1-yl]ethanol
SMILESCCC(c1ccccc1)c1nc2ccc(Cl)cc2n1CCO
InChIInChI=1S/C18H19ClN2O/c1-2-15(13-6-4-3-5-7-13)18-20-16-9-8-14(19)12-17(16)21(18)10-11-22/h3-9,12,15,22H,2,10-11H2,1H3
InChIKeyDIMHJZRYIYVKKL-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.22
Rot. Bonds5

About 2-[6-chloro-2-(1-phenylpropyl)benzimidazol-1-yl]ethanol

2-[6-chloro-2-(1-phenylpropyl)benzimidazol-1-yl]ethanol (PubChem CID 46308191) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 2-[6-chloro-2-(1-phenylpropyl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[6-chloro-2-(1-phenylpropyl)benzimidazol-1-yl]ethanol
PubChem CID46308191
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name2-[6-chloro-2-(1-phenylpropyl)benzimidazol-1-yl]ethanol
SMILESCCC(c1ccccc1)c1nc2ccc(Cl)cc2n1CCO
InChIInChI=1S/C18H19ClN2O/c1-2-15(13-6-4-3-5-7-13)18-20-16-9-8-14(19)12-17(16)21(18)10-11-22/h3-9,12,15,22H,2,10-11H2,1H3
InChIKeyDIMHJZRYIYVKKL-UHFFFAOYSA-N
XLogP4.22
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-ethyl-2-(1-phenylpropyl)benzimidazole
CID 46310477
2-[2-(1-aminopropyl)-5-chlorobenzimidazol-1-yl]ethanol
CID 82332591
1-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylpropan-1-amine
CID 113316618
6-chloro-2-(1-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole
CID 115471181
2-[6-chloro-2-(4-chlorophenyl)benzimidazol-1-yl]ethanol
CID 10638406
3-amino-1-(6-chloro-1-propylbenzimidazol-2-yl)propan-1-ol
CID 107835456
(1-benzyl-6-chlorobenzimidazol-2-yl)methanol
CID 46311001
2-(6-chloro-1-ethylbenzimidazol-2-yl)-1-phenylethanamine
CID 115472609
6-chloro-1-(2-methoxyethyl)-2-propan-2-ylbenzimidazole
CID 46309104
6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole
CID 113316296
6-chloro-1-methyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole
CID 46310351
6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole
CID 115471567

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(1-phenylpropyl)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[6-chloro-2-(1-phenylpropyl)benzimidazol-1-yl]ethanol (CID 46308191) is 2-[6-chloro-2-(1-phenylpropyl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[6-chloro-2-(1-phenylpropyl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[6-chloro-2-(1-phenylpropyl)benzimidazol-1-yl]ethanol is CCC(c1ccccc1)c1nc2ccc(Cl)cc2n1CCO.
What is the InChIKey of 2-[6-chloro-2-(1-phenylpropyl)benzimidazol-1-yl]ethanol?
The InChIKey is DIMHJZRYIYVKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-2-15(13-6-4-3-5-7-13)18-20-16-9-8-14(19)12-17(16)21(18)10-11-22/h3-9,12,15,22H,2,10-11H2,1H3.
What are the key properties of 2-[6-chloro-2-(1-phenylpropyl)benzimidazol-1-yl]ethanol?
2-[6-chloro-2-(1-phenylpropyl)benzimidazol-1-yl]ethanol has a molecular weight of 314.82 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(1-phenylpropyl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 46308191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).