[(2R)-3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-hydroxypropyl]-diethylazanium

C20H25ClN3O+ — CID 6981814

IUPAC[(2R)-3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-hydroxypropyl]-diethylazanium
SMILESCC[NH+](CC)C[C@H](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/p+1/t15-/m0/s1
InChIKeyACNLGPOKXXZHIW-HNNXBMFYSA-O
MW358.89 g/mol
LogP2.64
Rot. Bonds7

About [(2R)-3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-hydroxypropyl]-diethylazanium

[(2R)-3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-hydroxypropyl]-diethylazanium (PubChem CID 6981814) has the molecular formula C20H25ClN3O+ and a molecular weight of 358.89 g/mol. Its IUPAC name is [(2R)-3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-hydroxypropyl]-diethylazanium.

Molecular Properties

Compound Name[(2R)-3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-hydroxypropyl]-diethylazanium
PubChem CID6981814
Molecular FormulaC20H25ClN3O+
Molecular Weight358.89 g/mol
Exact Mass358.17
IUPAC Name[(2R)-3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-hydroxypropyl]-diethylazanium
SMILESCC[NH+](CC)C[C@H](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/p+1/t15-/m0/s1
InChIKeyACNLGPOKXXZHIW-HNNXBMFYSA-O
XLogP2.64
TPSA42.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-1-(2-methylbutyl)benzimidazole
CID 18878777
2-(2-chlorophenyl)-1-propylbenzimidazole
CID 4637054
3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile
CID 82144793
2-(2-chlorophenyl)-1-heptylbenzimidazole
CID 18878773
2-(2-chlorophenyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 3596016
1-[(4-bromophenyl)methyl]-2-(2-chlorophenyl)benzimidazole
CID 17002114
N-tert-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide
CID 17032773
N-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]-N-methylacetamide
CID 17002185
1-(2-methylbutyl)-2-(2-methylphenyl)benzimidazole
CID 17000601
N-(4-tert-butylphenyl)-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide
CID 5252722
(2R)-1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-(dimethylamino)propan-2-ol
CID 40512617
(2S)-1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-(dimethylamino)propan-2-ol
CID 40512615

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-hydroxypropyl]-diethylazanium?
The IUPAC name of [(2R)-3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-hydroxypropyl]-diethylazanium (CID 6981814) is [(2R)-3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-hydroxypropyl]-diethylazanium.
What is the SMILES notation for [(2R)-3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-hydroxypropyl]-diethylazanium?
The canonical SMILES for [(2R)-3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-hydroxypropyl]-diethylazanium is CC[NH+](CC)C[C@H](O)Cn1c(-c2ccccc2Cl)nc2ccccc21.
What is the InChIKey of [(2R)-3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-hydroxypropyl]-diethylazanium?
The InChIKey is ACNLGPOKXXZHIW-HNNXBMFYSA-O. 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/p+1/t15-/m0/s1.
What are the key properties of [(2R)-3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-hydroxypropyl]-diethylazanium?
[(2R)-3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-hydroxypropyl]-diethylazanium has a molecular weight of 358.89 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-hydroxypropyl]-diethylazanium is sourced from PubChem (CID 6981814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).