3-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-1-phenylcyclobutane-1-carbonitrile

C22H21N3O — CID 67577367

IUPAC3-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-1-phenylcyclobutane-1-carbonitrile
SMILESCc1nccn1-c1ccc(COC2CC(C#N)(c3ccccc3)C2)cc1
InChIInChI=1S/C22H21N3O/c1-17-24-11-12-25(17)20-9-7-18(8-10-20)15-26-21-13-22(14-21,16-23)19-5-3-2-4-6-19/h2-12,21H,13-15H2,1H3
InChIKeyWUUONPBDMMLIFM-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.32
Rot. Bonds5

About 3-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-1-phenylcyclobutane-1-carbonitrile

3-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-1-phenylcyclobutane-1-carbonitrile (PubChem CID 67577367) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-1-phenylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-1-phenylcyclobutane-1-carbonitrile
PubChem CID67577367
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name3-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-1-phenylcyclobutane-1-carbonitrile
SMILESCc1nccn1-c1ccc(COC2CC(C#N)(c3ccccc3)C2)cc1
InChIInChI=1S/C22H21N3O/c1-17-24-11-12-25(17)20-9-7-18(8-10-20)15-26-21-13-22(14-21,16-23)19-5-3-2-4-6-19/h2-12,21H,13-15H2,1H3
InChIKeyWUUONPBDMMLIFM-UHFFFAOYSA-N
XLogP4.32
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-1-phenylcyclobutane-1-carbonitrile?
The IUPAC name of 3-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-1-phenylcyclobutane-1-carbonitrile (CID 67577367) is 3-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-1-phenylcyclobutane-1-carbonitrile.
What is the SMILES notation for 3-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-1-phenylcyclobutane-1-carbonitrile?
The canonical SMILES for 3-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-1-phenylcyclobutane-1-carbonitrile is Cc1nccn1-c1ccc(COC2CC(C#N)(c3ccccc3)C2)cc1.
What is the InChIKey of 3-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-1-phenylcyclobutane-1-carbonitrile?
The InChIKey is WUUONPBDMMLIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-17-24-11-12-25(17)20-9-7-18(8-10-20)15-26-21-13-22(14-21,16-23)19-5-3-2-4-6-19/h2-12,21H,13-15H2,1H3.
What are the key properties of 3-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-1-phenylcyclobutane-1-carbonitrile?
3-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-1-phenylcyclobutane-1-carbonitrile has a molecular weight of 343.43 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]-1-phenylcyclobutane-1-carbonitrile is sourced from PubChem (CID 67577367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).