1-(4,4-diphenylbutyl)imidazole

C19H20N2 — CID 10540434

IUPAC1-(4,4-diphenylbutyl)imidazole
SMILESc1ccc(C(CCCn2ccnc2)c2ccccc2)cc1
InChIInChI=1S/C19H20N2/c1-3-8-17(9-4-1)19(18-10-5-2-6-11-18)12-7-14-21-15-13-20-16-21/h1-6,8-11,13,15-16,19H,7,12,14H2
InChIKeyCQJIDZLLIBZKSR-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.50
Rot. Bonds6

About 1-(4,4-diphenylbutyl)imidazole

1-(4,4-diphenylbutyl)imidazole (PubChem CID 10540434) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(4,4-diphenylbutyl)imidazole.

Molecular Properties

Compound Name1-(4,4-diphenylbutyl)imidazole
PubChem CID10540434
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name1-(4,4-diphenylbutyl)imidazole
SMILESc1ccc(C(CCCn2ccnc2)c2ccccc2)cc1
InChIInChI=1S/C19H20N2/c1-3-8-17(9-4-1)19(18-10-5-2-6-11-18)12-7-14-21-15-13-20-16-21/h1-6,8-11,13,15-16,19H,7,12,14H2
InChIKeyCQJIDZLLIBZKSR-UHFFFAOYSA-N
XLogP4.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-diphenylbutyl)imidazole?
The IUPAC name of 1-(4,4-diphenylbutyl)imidazole (CID 10540434) is 1-(4,4-diphenylbutyl)imidazole.
What is the SMILES notation for 1-(4,4-diphenylbutyl)imidazole?
The canonical SMILES for 1-(4,4-diphenylbutyl)imidazole is c1ccc(C(CCCn2ccnc2)c2ccccc2)cc1.
What is the InChIKey of 1-(4,4-diphenylbutyl)imidazole?
The InChIKey is CQJIDZLLIBZKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-3-8-17(9-4-1)19(18-10-5-2-6-11-18)12-7-14-21-15-13-20-16-21/h1-6,8-11,13,15-16,19H,7,12,14H2.
What are the key properties of 1-(4,4-diphenylbutyl)imidazole?
1-(4,4-diphenylbutyl)imidazole has a molecular weight of 276.38 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-diphenylbutyl)imidazole is sourced from PubChem (CID 10540434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).