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

C18H20ClN3O — CID 40512615

IUPAC(2S)-1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-(dimethylamino)propan-2-ol
SMILESCN(C)C[C@H](O)Cn1c(-c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C18H20ClN3O/c1-21(2)11-15(23)12-22-17-9-4-3-8-16(17)20-18(22)13-6-5-7-14(19)10-13/h3-10,15,23H,11-12H2,1-2H3/t15-/m0/s1
InChIKeyXJWDBQJKGYLMTA-HNNXBMFYSA-N
MW329.83 g/mol
LogP3.28
Rot. Bonds5

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

(2S)-1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-(dimethylamino)propan-2-ol (PubChem CID 40512615) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is (2S)-1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-(dimethylamino)propan-2-ol
PubChem CID40512615
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name(2S)-1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-(dimethylamino)propan-2-ol
SMILESCN(C)C[C@H](O)Cn1c(-c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C18H20ClN3O/c1-21(2)11-15(23)12-22-17-9-4-3-8-16(17)20-18(22)13-6-5-7-14(19)10-13/h3-10,15,23H,11-12H2,1-2H3/t15-/m0/s1
InChIKeyXJWDBQJKGYLMTA-HNNXBMFYSA-N
XLogP3.28
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-(dimethylamino)propan-2-ol
CID 40512617
3-[2-(3-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile
CID 82144799
3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-ol
CID 82149518
2-[2-(3-chlorophenyl)benzimidazol-1-yl]ethanethioamide
CID 39151422
2-(3-chlorophenyl)-1-octylbenzimidazole
CID 17001958
3-[2-(3-chlorophenyl)benzimidazol-1-yl]propanenitrile
CID 82144803
2-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 17001968
1-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-2-ol
CID 46308322
2-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-amine
CID 82144800
1-[2-(4-chlorophenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole
CID 17002011
2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 17002021
2-[2-(3-chlorophenyl)benzimidazol-1-yl]-1-morpholin-4-ylethanone
CID 17002090

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-(dimethylamino)propan-2-ol?
The IUPAC name of (2S)-1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-(dimethylamino)propan-2-ol (CID 40512615) is (2S)-1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for (2S)-1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-(dimethylamino)propan-2-ol?
The canonical SMILES for (2S)-1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-(dimethylamino)propan-2-ol is CN(C)C[C@H](O)Cn1c(-c2cccc(Cl)c2)nc2ccccc21.
What is the InChIKey of (2S)-1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-(dimethylamino)propan-2-ol?
The InChIKey is XJWDBQJKGYLMTA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-21(2)11-15(23)12-22-17-9-4-3-8-16(17)20-18(22)13-6-5-7-14(19)10-13/h3-10,15,23H,11-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-(dimethylamino)propan-2-ol?
(2S)-1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-(dimethylamino)propan-2-ol has a molecular weight of 329.83 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-(dimethylamino)propan-2-ol is sourced from PubChem (CID 40512615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).