(2R)-1-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol

C24H23ClN2O3 — CID 92727554

IUPAC(2R)-1-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OC[C@H](O)Cn2c(Cc3ccccc3Cl)nc3ccccc32)cc1
InChIInChI=1S/C24H23ClN2O3/c1-29-19-10-12-20(13-11-19)30-16-18(28)15-27-23-9-5-4-8-22(23)26-24(27)14-17-6-2-3-7-21(17)25/h2-13,18,28H,14-16H2,1H3/t18-/m1/s1
InChIKeyJPSJHQVDIYGGEX-GOSISDBHSA-N
MW422.91 g/mol
LogP4.73
Rot. Bonds8

About (2R)-1-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol

(2R)-1-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol (PubChem CID 92727554) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is (2R)-1-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol
PubChem CID92727554
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Name(2R)-1-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OC[C@H](O)Cn2c(Cc3ccccc3Cl)nc3ccccc32)cc1
InChIInChI=1S/C24H23ClN2O3/c1-29-19-10-12-20(13-11-19)30-16-18(28)15-27-23-9-5-4-8-22(23)26-24(27)14-17-6-2-3-7-21(17)25/h2-13,18,28H,14-16H2,1H3/t18-/m1/s1
InChIKeyJPSJHQVDIYGGEX-GOSISDBHSA-N
XLogP4.73
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol with MolForge

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Related Compounds

1-(4-methoxyphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 172933925
(2R)-1-(2-benzylbenzimidazol-1-yl)-3-(3,5-dimethoxyphenoxy)propan-2-ol
CID 1090499
1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 43841729
(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 766470
(2R)-1-(2-ethylbenzimidazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 27408227
(2R)-1-(4-chloro-3-methylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 92501230
(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 34363876
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenoxy]-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 1151095
1-(2-benzylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol;hydrochloride
CID 172933757
1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol
CID 43837450
(2R)-1-(4-tert-butylphenoxy)-3-[2-(hydroxymethyl)benzimidazol-1-yl]propan-2-ol
CID 40637460
2-[(2-chlorophenyl)methyl]-1-[2-(4-ethylphenoxy)ethyl]benzimidazole
CID 16995718

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol (CID 92727554) is (2R)-1-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol is COc1ccc(OC[C@H](O)Cn2c(Cc3ccccc3Cl)nc3ccccc32)cc1.
What is the InChIKey of (2R)-1-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol?
The InChIKey is JPSJHQVDIYGGEX-GOSISDBHSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c1-29-19-10-12-20(13-11-19)30-16-18(28)15-27-23-9-5-4-8-22(23)26-24(27)14-17-6-2-3-7-21(17)25/h2-13,18,28H,14-16H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-1-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol?
(2R)-1-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol has a molecular weight of 422.91 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 92727554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).