1-(benzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol

C15H16N2O3 — CID 23992237

IUPAC1-(benzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
SMILESOC(COCc1ccco1)Cn1cnc2ccccc21
InChIInChI=1S/C15H16N2O3/c18-12(9-19-10-13-4-3-7-20-13)8-17-11-16-14-5-1-2-6-15(14)17/h1-7,11-12,18H,8-10H2
InChIKeyKZGISFGAGFTARH-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.21
Rot. Bonds6

About 1-(benzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol

1-(benzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 23992237) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID23992237
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-(benzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
SMILESOC(COCc1ccco1)Cn1cnc2ccccc21
InChIInChI=1S/C15H16N2O3/c18-12(9-19-10-13-4-3-7-20-13)8-17-11-16-14-5-1-2-6-15(14)17/h1-7,11-12,18H,8-10H2
InChIKeyKZGISFGAGFTARH-UHFFFAOYSA-N
XLogP2.21
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 25384233
1-(benzimidazol-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 16553417
7-fluoro-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]quinazolin-4-one
CID 51981456
1-(2-aminophenoxy)-3-(benzimidazol-1-yl)propan-2-ol
CID 62269353
1-(2-ethylimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 109411210
7-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
CID 31297735
3-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 31077133
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
1-(benzimidazol-1-yl)butan-2-ol
CID 53276318
(2S)-1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 942774
1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2771920

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(benzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol (CID 23992237) is 1-(benzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(benzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol is OC(COCc1ccco1)Cn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is KZGISFGAGFTARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-12(9-19-10-13-4-3-7-20-13)8-17-11-16-14-5-1-2-6-15(14)17/h1-7,11-12,18H,8-10H2.
What are the key properties of 1-(benzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol?
1-(benzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 272.30 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 23992237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).