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

C25H26N2O2 — CID 156620660

IUPAC1-(2-benzylbenzimidazol-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)Cn2c(Cc3ccccc3)nc3ccccc32)c1C
InChIInChI=1S/C25H26N2O2/c1-18-9-8-14-24(19(18)2)29-17-21(28)16-27-23-13-7-6-12-22(23)26-25(27)15-20-10-4-3-5-11-20/h3-14,21,28H,15-17H2,1-2H3
InChIKeyCQACCFGBHCTHIN-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.68
Rot. Bonds7

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

1-(2-benzylbenzimidazol-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol (PubChem CID 156620660) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-(2-benzylbenzimidazol-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-benzylbenzimidazol-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol
PubChem CID156620660
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name1-(2-benzylbenzimidazol-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)Cn2c(Cc3ccccc3)nc3ccccc32)c1C
InChIInChI=1S/C25H26N2O2/c1-18-9-8-14-24(19(18)2)29-17-21(28)16-27-23-13-7-6-12-22(23)26-25(27)15-20-10-4-3-5-11-20/h3-14,21,28H,15-17H2,1-2H3
InChIKeyCQACCFGBHCTHIN-UHFFFAOYSA-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-(2,3-dimethylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 92501227
1-(2,3-dimethylphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 46270242
1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 43841729
(2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 92501262
1-(2-benzylbenzimidazol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol
CID 156620662
1-(2-benzylbenzimidazol-1-yl)-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 156620668
(2S)-1-(2,3-dimethylphenoxy)-3-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol
CID 92501255
(2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2-chloro-5-methylphenoxy)propan-2-ol
CID 26741924
1-(2-benzylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol;hydrochloride
CID 172933757
(2R)-1-(2-benzylbenzimidazol-1-yl)-3-(3,5-dimethoxyphenoxy)propan-2-ol
CID 1090499
1-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 156620728
(2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 1186414

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylbenzimidazol-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol?
The IUPAC name of 1-(2-benzylbenzimidazol-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol (CID 156620660) is 1-(2-benzylbenzimidazol-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-benzylbenzimidazol-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol?
The canonical SMILES for 1-(2-benzylbenzimidazol-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol is Cc1cccc(OCC(O)Cn2c(Cc3ccccc3)nc3ccccc32)c1C.
What is the InChIKey of 1-(2-benzylbenzimidazol-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol?
The InChIKey is CQACCFGBHCTHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-18-9-8-14-24(19(18)2)29-17-21(28)16-27-23-13-7-6-12-22(23)26-25(27)15-20-10-4-3-5-11-20/h3-14,21,28H,15-17H2,1-2H3.
What are the key properties of 1-(2-benzylbenzimidazol-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol?
1-(2-benzylbenzimidazol-1-yl)-3-(2,3-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 1-(2-benzylbenzimidazol-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol is sourced from PubChem (CID 156620660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).