(2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol

C25H26N2O2 — CID 92501262

IUPAC(2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
SMILESCc1ccc(C)c(OC[C@@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C25H26N2O2/c1-18-12-13-19(2)24(14-18)29-17-21(28)16-27-23-11-7-6-10-22(23)26-25(27)15-20-8-4-3-5-9-20/h3-14,21,28H,15-17H2,1-2H3/t21-/m0/s1
InChIKeyDSBPFZFPTYHPCD-NRFANRHFSA-N
MW386.50 g/mol
LogP4.68
Rot. Bonds7

About (2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol

(2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol (PubChem CID 92501262) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is (2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
PubChem CID92501262
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name(2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
SMILESCc1ccc(C)c(OC[C@@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C25H26N2O2/c1-18-12-13-19(2)24(14-18)29-17-21(28)16-27-23-11-7-6-10-22(23)26-25(27)15-20-8-4-3-5-9-20/h3-14,21,28H,15-17H2,1-2H3/t21-/m0/s1
InChIKeyDSBPFZFPTYHPCD-NRFANRHFSA-N
XLogP4.68
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2-chloro-5-methylphenoxy)propan-2-ol
CID 26741924
1-(2-benzylbenzimidazol-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol
CID 156620660
1-(2-benzylbenzimidazol-1-yl)-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 156620668
1-(2,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 138960897
1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 43841729
(2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 1186414
(2R)-1-(2-benzylbenzimidazol-1-yl)-3-(3,5-dimethoxyphenoxy)propan-2-ol
CID 1090499
1-(2-cyclobutylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol;hydrochloride
CID 138961183
1-(2-benzylbenzimidazol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol
CID 156620662
1-(2,5-dimethylphenoxy)-3-[2-(furan-3-yl)benzimidazol-1-yl]propan-2-ol
CID 47087322
(2S)-1-(2-cyclohexylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 92501278
1-(2-benzylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol;hydrochloride
CID 172933757

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol?
The IUPAC name of (2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol (CID 92501262) is (2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol is Cc1ccc(C)c(OC[C@@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)c1.
What is the InChIKey of (2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol?
The InChIKey is DSBPFZFPTYHPCD-NRFANRHFSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-18-12-13-19(2)24(14-18)29-17-21(28)16-27-23-11-7-6-10-22(23)26-25(27)15-20-8-4-3-5-9-20/h3-14,21,28H,15-17H2,1-2H3/t21-/m0/s1.
What are the key properties of (2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol?
(2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol has a molecular weight of 386.50 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol is sourced from PubChem (CID 92501262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).