4-[(2R)-2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate

C20H21N2O4- — CID 7029928

IUPAC4-[(2R)-2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate
SMILESCCCc1nc2ccccc2n1C[C@@H](O)COc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C20H22N2O4/c1-2-5-19-21-17-6-3-4-7-18(17)22(19)12-15(23)13-26-16-10-8-14(9-11-16)20(24)25/h3-4,6-11,15,23H,2,5,12-13H2,1H3,(H,24,25)/p-1/t15-/m1/s1
InChIKeyGHXDACIKRVWHHJ-OAHLLOKOSA-M
MW353.40 g/mol
LogP1.79
Rot. Bonds8

About 4-[(2R)-2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate

4-[(2R)-2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate (PubChem CID 7029928) has the molecular formula C20H21N2O4- and a molecular weight of 353.40 g/mol. Its IUPAC name is 4-[(2R)-2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate.

Molecular Properties

Compound Name4-[(2R)-2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate
PubChem CID7029928
Molecular FormulaC20H21N2O4-
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name4-[(2R)-2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate
SMILESCCCc1nc2ccccc2n1C[C@@H](O)COc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C20H22N2O4/c1-2-5-19-21-17-6-3-4-7-18(17)22(19)12-15(23)13-26-16-10-8-14(9-11-16)20(24)25/h3-4,6-11,15,23H,2,5,12-13H2,1H3,(H,24,25)/p-1/t15-/m1/s1
InChIKeyGHXDACIKRVWHHJ-OAHLLOKOSA-M
XLogP1.79
TPSA87.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(2R)-2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate with MolForge

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Related Compounds

1-[4-[3-(2-ethylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 4294955
1-methoxy-3-(2-propylbenzimidazol-1-yl)propan-2-ol
CID 112568352
methyl 4-[2-hydroxy-3-[2-(hydroxymethyl)benzimidazol-1-yl]propoxy]benzoate
CID 46664269
(2R)-1-(2-ethylbenzimidazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 27408227
(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 34363876
1-(2-propylbenzimidazol-1-yl)butan-2-ol
CID 112632256
1-[4-[3-[2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one
CID 156620598
1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol
CID 43837450
(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 766470
(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-propan-2-ylbenzimidazol-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 138960942
1-[4-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)benzimidazol-1-yl]propoxy]phenyl]propan-1-one
CID 30798447

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate?
The IUPAC name of 4-[(2R)-2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate (CID 7029928) is 4-[(2R)-2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate.
What is the SMILES notation for 4-[(2R)-2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate?
The canonical SMILES for 4-[(2R)-2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate is CCCc1nc2ccccc2n1C[C@@H](O)COc1ccc(C(=O)[O-])cc1.
What is the InChIKey of 4-[(2R)-2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate?
The InChIKey is GHXDACIKRVWHHJ-OAHLLOKOSA-M. The full InChI is InChI=1S/C20H22N2O4/c1-2-5-19-21-17-6-3-4-7-18(17)22(19)12-15(23)13-26-16-10-8-14(9-11-16)20(24)25/h3-4,6-11,15,23H,2,5,12-13H2,1H3,(H,24,25)/p-1/t15-/m1/s1.
What are the key properties of 4-[(2R)-2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate?
4-[(2R)-2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate has a molecular weight of 353.40 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate is sourced from PubChem (CID 7029928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).