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

C24H24N2O2 — CID 51545092

IUPAC(2S)-1-(benzimidazol-1-yl)-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol
SMILESCc1ccccc1[C@@H](OC[C@@H](O)Cn1cnc2ccccc21)c1ccccc1
InChIInChI=1S/C24H24N2O2/c1-18-9-5-6-12-21(18)24(19-10-3-2-4-11-19)28-16-20(27)15-26-17-25-22-13-7-8-14-23(22)26/h2-14,17,20,24,27H,15-16H2,1H3/t20-,24-/m0/s1
InChIKeyHTCKQPPSNQNJOY-RDPSFJRHSA-N
MW372.47 g/mol
LogP4.51
Rot. Bonds7

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

(2S)-1-(benzimidazol-1-yl)-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol (PubChem CID 51545092) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (2S)-1-(benzimidazol-1-yl)-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(benzimidazol-1-yl)-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol
PubChem CID51545092
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name(2S)-1-(benzimidazol-1-yl)-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol
SMILESCc1ccccc1[C@@H](OC[C@@H](O)Cn1cnc2ccccc21)c1ccccc1
InChIInChI=1S/C24H24N2O2/c1-18-9-5-6-12-21(18)24(19-10-3-2-4-11-19)28-16-20(27)15-26-17-25-22-13-7-8-14-23(22)26/h2-14,17,20,24,27H,15-16H2,1H3/t20-,24-/m0/s1
InChIKeyHTCKQPPSNQNJOY-RDPSFJRHSA-N
XLogP4.51
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol
CID 31062141
(2R)-1-(benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 819220
(2R)-1-[(S)-(2-methylphenyl)-phenylmethoxy]-3-(4-nitroimidazol-1-yl)propan-2-ol
CID 51940184
2-[(2S)-2-hydroxy-3-[(R)-(2-methylphenyl)-phenylmethoxy]propyl]isoindole-1,3-dione
CID 31563617
1-(benzimidazol-1-yl)butan-2-ol
CID 53276318
1-(benzimidazol-1-yl)propan-2-ol
CID 22504258
(2S)-1-(benzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 879495
1-(benzimidazol-1-yl)-3-(2-methylquinolin-4-yl)oxypropan-2-ol
CID 10472007
1-(benzimidazol-1-yl)-3-(4-iodophenoxy)propan-2-ol
CID 583226
(2R)-1-(benzimidazol-1-yl)-3-(4-iodophenoxy)propan-2-ol
CID 1120288
(2R)-1-(benzimidazol-1-yl)-3-(4-chlorophenoxy)propan-2-ol
CID 800546
1-(2-aminophenoxy)-3-(benzimidazol-1-yl)propan-2-ol
CID 62269353

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(benzimidazol-1-yl)-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol?
The IUPAC name of (2S)-1-(benzimidazol-1-yl)-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol (CID 51545092) is (2S)-1-(benzimidazol-1-yl)-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol.
What is the SMILES notation for (2S)-1-(benzimidazol-1-yl)-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol?
The canonical SMILES for (2S)-1-(benzimidazol-1-yl)-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol is Cc1ccccc1[C@@H](OC[C@@H](O)Cn1cnc2ccccc21)c1ccccc1.
What is the InChIKey of (2S)-1-(benzimidazol-1-yl)-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol?
The InChIKey is HTCKQPPSNQNJOY-RDPSFJRHSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-18-9-5-6-12-21(18)24(19-10-3-2-4-11-19)28-16-20(27)15-26-17-25-22-13-7-8-14-23(22)26/h2-14,17,20,24,27H,15-16H2,1H3/t20-,24-/m0/s1.
What are the key properties of (2S)-1-(benzimidazol-1-yl)-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol?
(2S)-1-(benzimidazol-1-yl)-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol has a molecular weight of 372.47 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(benzimidazol-1-yl)-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol is sourced from PubChem (CID 51545092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).