(2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol

C25H26N2O3 — CID 31062141

IUPAC(2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol
SMILESCc1ccccc1[C@@H](OC[C@H](O)Cn1c(CO)nc2ccccc21)c1ccccc1
InChIInChI=1S/C25H26N2O3/c1-18-9-5-6-12-21(18)25(19-10-3-2-4-11-19)30-17-20(29)15-27-23-14-8-7-13-22(23)26-24(27)16-28/h2-14,20,25,28-29H,15-17H2,1H3/t20-,25+/m1/s1
InChIKeyBSQCLJXZJVXAHZ-NLFFAJNJSA-N
MW402.49 g/mol
LogP4.00
Rot. Bonds8

About (2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol

(2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol (PubChem CID 31062141) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is (2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol
PubChem CID31062141
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name(2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol
SMILESCc1ccccc1[C@@H](OC[C@H](O)Cn1c(CO)nc2ccccc21)c1ccccc1
InChIInChI=1S/C25H26N2O3/c1-18-9-5-6-12-21(18)25(19-10-3-2-4-11-19)30-17-20(29)15-27-23-14-8-7-13-22(23)26-24(27)16-28/h2-14,20,25,28-29H,15-17H2,1H3/t20-,25+/m1/s1
InChIKeyBSQCLJXZJVXAHZ-NLFFAJNJSA-N
XLogP4.00
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol with MolForge

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Related Compounds

(2S)-1-(benzimidazol-1-yl)-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol
CID 51545092
2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol
CID 17479592
2-[(2S)-2-hydroxy-3-[(R)-(2-methylphenyl)-phenylmethoxy]propyl]isoindole-1,3-dione
CID 31563617
(2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 1317864
(2R)-1-(4-tert-butylphenoxy)-3-[2-(hydroxymethyl)benzimidazol-1-yl]propan-2-ol
CID 40637460
(2S)-1-(2,6-dimethylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 40532798
2-(2-ethylbenzimidazol-1-yl)-1-(2-methylphenyl)ethanol
CID 63105059
1-(1-phenylpropoxy)-3-[2-[(2,4,6-trimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol
CID 156620726
1-[2-(phenoxymethyl)benzimidazol-1-yl]-3-propan-2-yloxypropan-2-ol
CID 110882964
(2R)-1-[(S)-(2-methylphenyl)-phenylmethoxy]-3-(4-nitroimidazol-1-yl)propan-2-ol
CID 51940184
2-[[4-[2-hydroxy-3-[(2-methylphenyl)-phenylmethoxy]propyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135914783
(2S)-1-(2,3-dimethylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 92501227

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol?
The IUPAC name of (2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol (CID 31062141) is (2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol?
The canonical SMILES for (2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol is Cc1ccccc1[C@@H](OC[C@H](O)Cn1c(CO)nc2ccccc21)c1ccccc1.
What is the InChIKey of (2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol?
The InChIKey is BSQCLJXZJVXAHZ-NLFFAJNJSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-18-9-5-6-12-21(18)25(19-10-3-2-4-11-19)30-17-20(29)15-27-23-14-8-7-13-22(23)26-24(27)16-28/h2-14,20,25,28-29H,15-17H2,1H3/t20-,25+/m1/s1.
What are the key properties of (2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol?
(2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol has a molecular weight of 402.49 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol is sourced from PubChem (CID 31062141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).