3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]benzonitrile

C21H19N3O — CID 50983448

IUPAC3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]benzonitrile
SMILESN#Cc1cccc(-c2c(-c3ccccc3)ncn2C[C@H]2CCCO2)c1
InChIInChI=1S/C21H19N3O/c22-13-16-6-4-9-18(12-16)21-20(17-7-2-1-3-8-17)23-15-24(21)14-19-10-5-11-25-19/h1-4,6-9,12,15,19H,5,10-11,14H2/t19-/m1/s1
InChIKeyKTEMVHHBDVBPDD-LJQANCHMSA-N
MW329.40 g/mol
LogP4.27
Rot. Bonds4

About 3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]benzonitrile

3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]benzonitrile (PubChem CID 50983448) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]benzonitrile.

Molecular Properties

Compound Name3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]benzonitrile
PubChem CID50983448
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]benzonitrile
SMILESN#Cc1cccc(-c2c(-c3ccccc3)ncn2C[C@H]2CCCO2)c1
InChIInChI=1S/C21H19N3O/c22-13-16-6-4-9-18(12-16)21-20(17-7-2-1-3-8-17)23-15-24(21)14-19-10-5-11-25-19/h1-4,6-9,12,15,19H,5,10-11,14H2/t19-/m1/s1
InChIKeyKTEMVHHBDVBPDD-LJQANCHMSA-N
XLogP4.27
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]prop-2-yn-1-ol
CID 50970566
5-(3,4-dimethoxyphenyl)-1-[[(2S)-oxan-2-yl]methyl]-4-phenylimidazole
CID 95138059
N-[4-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]phenyl]acetamide
CID 95135000
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-[2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethoxy]benzonitrile
CID 95285974
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
2-[[5-(1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]morpholine;dihydrochloride
CID 154890014
[6-(3-cyanophenyl)-2-(oxolan-2-ylmethyl)-2,3-dihydrochromen-4-ylidene]cyanamide
CID 58424747
3-[5-phenyl-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazol-4-yl]benzonitrile
CID 95208800
3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112857362
3-(oxolan-2-ylmethyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
CID 90331972

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]benzonitrile?
The IUPAC name of 3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]benzonitrile (CID 50983448) is 3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]benzonitrile.
What is the SMILES notation for 3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]benzonitrile?
The canonical SMILES for 3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]benzonitrile is N#Cc1cccc(-c2c(-c3ccccc3)ncn2C[C@H]2CCCO2)c1.
What is the InChIKey of 3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]benzonitrile?
The InChIKey is KTEMVHHBDVBPDD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H19N3O/c22-13-16-6-4-9-18(12-16)21-20(17-7-2-1-3-8-17)23-15-24(21)14-19-10-5-11-25-19/h1-4,6-9,12,15,19H,5,10-11,14H2/t19-/m1/s1.
What are the key properties of 3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]benzonitrile?
3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]benzonitrile has a molecular weight of 329.40 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]benzonitrile is sourced from PubChem (CID 50983448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).