1-[2-(1-phenoxyethyl)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol

C23H24N2O3S — CID 42933902

IUPAC1-[2-(1-phenoxyethyl)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCC(Oc1ccccc1)c1nc2ccccc2n1CC(O)COCc1cccs1
InChIInChI=1S/C23H24N2O3S/c1-17(28-19-8-3-2-4-9-19)23-24-21-11-5-6-12-22(21)25(23)14-18(26)15-27-16-20-10-7-13-29-20/h2-13,17-18,26H,14-16H2,1H3
InChIKeyXBVOBIKFYNGXKR-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.82
Rot. Bonds9

About 1-[2-(1-phenoxyethyl)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol

1-[2-(1-phenoxyethyl)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 42933902) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 1-[2-(1-phenoxyethyl)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-(1-phenoxyethyl)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID42933902
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name1-[2-(1-phenoxyethyl)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCC(Oc1ccccc1)c1nc2ccccc2n1CC(O)COCc1cccs1
InChIInChI=1S/C23H24N2O3S/c1-17(28-19-8-3-2-4-9-19)23-24-21-11-5-6-12-22(21)25(23)14-18(26)15-27-16-20-10-7-13-29-20/h2-13,17-18,26H,14-16H2,1H3
InChIKeyXBVOBIKFYNGXKR-UHFFFAOYSA-N
XLogP4.82
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(benzylamino)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 78782747
1-ethyl-2-(1-phenoxyethyl)benzimidazole
CID 2984876
2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole
CID 7574593
1-(2-butan-2-ylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol
CID 138960839
1-(2-propan-2-ylimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 109411242
1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 56802833
propan-2-yl 2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetate
CID 16998895
(2R)-1-(3,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 96571408
1-naphthalen-2-yloxy-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 15998647
1-[2-(3,5-dimethylphenoxy)ethyl]-2-(1-phenoxyethyl)benzimidazole
CID 16998835
(2S)-1-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]-3-(3-methoxyphenoxy)propan-2-ol
CID 7425022
1-[(2-fluorophenyl)methyl]-2-(1-phenoxyethyl)benzimidazole
CID 18877735

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-phenoxyethyl)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[2-(1-phenoxyethyl)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 42933902) is 1-[2-(1-phenoxyethyl)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[2-(1-phenoxyethyl)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[2-(1-phenoxyethyl)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol is CC(Oc1ccccc1)c1nc2ccccc2n1CC(O)COCc1cccs1.
What is the InChIKey of 1-[2-(1-phenoxyethyl)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is XBVOBIKFYNGXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-17(28-19-8-3-2-4-9-19)23-24-21-11-5-6-12-22(21)25(23)14-18(26)15-27-16-20-10-7-13-29-20/h2-13,17-18,26H,14-16H2,1H3.
What are the key properties of 1-[2-(1-phenoxyethyl)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-[2-(1-phenoxyethyl)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 408.52 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-phenoxyethyl)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 42933902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).