1-naphthalen-2-yloxy-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol

C25H26N2O3 — CID 138960604

IUPAC1-naphthalen-2-yloxy-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol
SMILESOC(COc1ccc2ccccc2c1)Cn1c(C2CCOCC2)nc2ccccc21
InChIInChI=1S/C25H26N2O3/c28-21(17-30-22-10-9-18-5-1-2-6-20(18)15-22)16-27-24-8-4-3-7-23(24)26-25(27)19-11-13-29-14-12-19/h1-10,15,19,21,28H,11-14,16-17H2
InChIKeyRTHNTKMIJKVDOA-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.52
Rot. Bonds6

About 1-naphthalen-2-yloxy-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol

1-naphthalen-2-yloxy-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol (PubChem CID 138960604) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 1-naphthalen-2-yloxy-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-naphthalen-2-yloxy-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol
PubChem CID138960604
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name1-naphthalen-2-yloxy-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol
SMILESOC(COc1ccc2ccccc2c1)Cn1c(C2CCOCC2)nc2ccccc21
InChIInChI=1S/C25H26N2O3/c28-21(17-30-22-10-9-18-5-1-2-6-20(18)15-22)16-27-24-8-4-3-7-23(24)26-25(27)19-11-13-29-14-12-19/h1-10,15,19,21,28H,11-14,16-17H2
InChIKeyRTHNTKMIJKVDOA-UHFFFAOYSA-N
XLogP4.52
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-nitrophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol
CID 138960584
1-(4-nitrophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 138960583
1-(2-bromophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol
CID 138960554
(2R)-1-(2-cyclopropylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 27407765
1-(2-fluorophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 138960561
1-(2-cyclopropylbenzimidazol-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 156620536
(2S)-1-(2-cyclohexylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 96571491
1-(2-cyclohexylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 71296329
1-(2-cyclobutylbenzimidazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol;hydrochloride
CID 138961177
1-[2-(oxan-4-yl)benzimidazol-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol;hydrochloride
CID 138960595
1-(2-cyclobutylbenzimidazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride
CID 138961191
1-(2-cyclohexylbenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride
CID 138960136

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yloxy-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol?
The IUPAC name of 1-naphthalen-2-yloxy-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol (CID 138960604) is 1-naphthalen-2-yloxy-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-naphthalen-2-yloxy-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-naphthalen-2-yloxy-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol is OC(COc1ccc2ccccc2c1)Cn1c(C2CCOCC2)nc2ccccc21.
What is the InChIKey of 1-naphthalen-2-yloxy-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol?
The InChIKey is RTHNTKMIJKVDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c28-21(17-30-22-10-9-18-5-1-2-6-20(18)15-22)16-27-24-8-4-3-7-23(24)26-25(27)19-11-13-29-14-12-19/h1-10,15,19,21,28H,11-14,16-17H2.
What are the key properties of 1-naphthalen-2-yloxy-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol?
1-naphthalen-2-yloxy-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol has a molecular weight of 402.49 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yloxy-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 138960604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).