3-[4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]prop-2-yn-1-ol

C23H22N2O2 — CID 50970566

IUPAC3-[4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc(-c2c(-c3ccccc3)ncn2CC2CCCO2)cc1
InChIInChI=1S/C23H22N2O2/c26-14-4-6-18-10-12-20(13-11-18)23-22(19-7-2-1-3-8-19)24-17-25(23)16-21-9-5-15-27-21/h1-3,7-8,10-13,17,21,26H,5,9,14-16H2
InChIKeyFHKHGCLPGKDBPJ-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.74
Rot. Bonds4

About 3-[4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]prop-2-yn-1-ol

3-[4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]prop-2-yn-1-ol (PubChem CID 50970566) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-[4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]prop-2-yn-1-ol
PubChem CID50970566
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name3-[4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc(-c2c(-c3ccccc3)ncn2CC2CCCO2)cc1
InChIInChI=1S/C23H22N2O2/c26-14-4-6-18-10-12-20(13-11-18)23-22(19-7-2-1-3-8-19)24-17-25(23)16-21-9-5-15-27-21/h1-3,7-8,10-13,17,21,26H,5,9,14-16H2
InChIKeyFHKHGCLPGKDBPJ-UHFFFAOYSA-N
XLogP3.74
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]benzonitrile
CID 50983448
N-[4-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]phenyl]acetamide
CID 95135000
5-(3,4-dimethoxyphenyl)-1-[[(2S)-oxan-2-yl]methyl]-4-phenylimidazole
CID 95138059
N-[2,5-dimethyl-3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]acetamide
CID 50951245
1-(oxolan-2-ylmethyl)-2,4,5-triphenylimidazole
CID 102110360
3-(oxolan-2-ylmethyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
CID 90331972
6-[3-(2-morpholin-4-ylethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 157297754
N-carbamoyl-2-[1-[[(2R)-oxolan-2-yl]methyl]-4,5-diphenylimidazol-2-yl]sulfanylacetamide
CID 40783237
2-methyl-5-[4-[5-methyl-1-(oxan-2-ylmethyl)imidazol-4-yl]phenyl]pyridine
CID 164857267
3-[5-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]-4-phenylimidazol-1-yl]propan-1-ol
CID 95123346
5-[(2S)-oxolan-2-yl]-3-[(4-phenyl-5-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 95123922
7-(oxolan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 2926784

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]prop-2-yn-1-ol (CID 50970566) is 3-[4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]prop-2-yn-1-ol is OCC#Cc1ccc(-c2c(-c3ccccc3)ncn2CC2CCCO2)cc1.
What is the InChIKey of 3-[4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]prop-2-yn-1-ol?
The InChIKey is FHKHGCLPGKDBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c26-14-4-6-18-10-12-20(13-11-18)23-22(19-7-2-1-3-8-19)24-17-25(23)16-21-9-5-15-27-21/h1-3,7-8,10-13,17,21,26H,5,9,14-16H2.
What are the key properties of 3-[4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]prop-2-yn-1-ol?
3-[4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]prop-2-yn-1-ol has a molecular weight of 358.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 50970566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).