1-[2-(2-chlorophenyl)benzimidazol-1-yl]-3-(diethylamino)propan-2-ol

C20H24ClN3O — CID 2859286

IUPAC1-[2-(2-chlorophenyl)benzimidazol-1-yl]-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)Cn1c(-c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C20H24ClN3O/c1-3-23(4-2)13-15(25)14-24-19-12-8-7-11-18(19)22-20(24)16-9-5-6-10-17(16)21/h5-12,15,25H,3-4,13-14H2,1-2H3
InChIKeyACNLGPOKXXZHIW-UHFFFAOYSA-N
MW357.88 g/mol
LogP4.06
Rot. Bonds7

About 1-[2-(2-chlorophenyl)benzimidazol-1-yl]-3-(diethylamino)propan-2-ol

1-[2-(2-chlorophenyl)benzimidazol-1-yl]-3-(diethylamino)propan-2-ol (PubChem CID 2859286) has the molecular formula C20H24ClN3O and a molecular weight of 357.88 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)benzimidazol-1-yl]-3-(diethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)benzimidazol-1-yl]-3-(diethylamino)propan-2-ol
PubChem CID2859286
Molecular FormulaC20H24ClN3O
Molecular Weight357.88 g/mol
Exact Mass357.16
IUPAC Name1-[2-(2-chlorophenyl)benzimidazol-1-yl]-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)Cn1c(-c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C20H24ClN3O/c1-3-23(4-2)13-15(25)14-24-19-12-8-7-11-18(19)22-20(24)16-9-5-6-10-17(16)21/h5-12,15,25H,3-4,13-14H2,1-2H3
InChIKeyACNLGPOKXXZHIW-UHFFFAOYSA-N
XLogP4.06
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)benzimidazol-1-yl]-3-(diethylamino)propan-2-ol?
The IUPAC name of 1-[2-(2-chlorophenyl)benzimidazol-1-yl]-3-(diethylamino)propan-2-ol (CID 2859286) is 1-[2-(2-chlorophenyl)benzimidazol-1-yl]-3-(diethylamino)propan-2-ol.
What is the SMILES notation for 1-[2-(2-chlorophenyl)benzimidazol-1-yl]-3-(diethylamino)propan-2-ol?
The canonical SMILES for 1-[2-(2-chlorophenyl)benzimidazol-1-yl]-3-(diethylamino)propan-2-ol is CCN(CC)CC(O)Cn1c(-c2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 1-[2-(2-chlorophenyl)benzimidazol-1-yl]-3-(diethylamino)propan-2-ol?
The InChIKey is ACNLGPOKXXZHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-3-23(4-2)13-15(25)14-24-19-12-8-7-11-18(19)22-20(24)16-9-5-6-10-17(16)21/h5-12,15,25H,3-4,13-14H2,1-2H3.
What are the key properties of 1-[2-(2-chlorophenyl)benzimidazol-1-yl]-3-(diethylamino)propan-2-ol?
1-[2-(2-chlorophenyl)benzimidazol-1-yl]-3-(diethylamino)propan-2-ol has a molecular weight of 357.88 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)benzimidazol-1-yl]-3-(diethylamino)propan-2-ol is sourced from PubChem (CID 2859286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).