4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-ol

C19H20N2O — CID 44604580

IUPAC4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-ol
SMILESOC(CCc1ccccc1)Cn1cnc(-c2ccccc2)c1
InChIInChI=1S/C19H20N2O/c22-18(12-11-16-7-3-1-4-8-16)13-21-14-19(20-15-21)17-9-5-2-6-10-17/h1-10,14-15,18,22H,11-13H2
InChIKeyZWTUNXBRHGZGQN-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.54
Rot. Bonds6

About 4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-ol

4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-ol (PubChem CID 44604580) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-ol
PubChem CID44604580
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-ol
SMILESOC(CCc1ccccc1)Cn1cnc(-c2ccccc2)c1
InChIInChI=1S/C19H20N2O/c22-18(12-11-16-7-3-1-4-8-16)13-21-14-19(20-15-21)17-9-5-2-6-10-17/h1-10,14-15,18,22H,11-13H2
InChIKeyZWTUNXBRHGZGQN-UHFFFAOYSA-N
XLogP3.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-ol?
The IUPAC name of 4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-ol (CID 44604580) is 4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-ol.
What is the SMILES notation for 4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-ol?
The canonical SMILES for 4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-ol is OC(CCc1ccccc1)Cn1cnc(-c2ccccc2)c1.
What is the InChIKey of 4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-ol?
The InChIKey is ZWTUNXBRHGZGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c22-18(12-11-16-7-3-1-4-8-16)13-21-14-19(20-15-21)17-9-5-2-6-10-17/h1-10,14-15,18,22H,11-13H2.
What are the key properties of 4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-ol?
4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-ol has a molecular weight of 292.38 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(4-phenylimidazol-1-yl)butan-2-ol is sourced from PubChem (CID 44604580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).