8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methylphenyl)imidazo[1,5-a]pyridine

C26H26N2 — CID 132597677

IUPAC8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methylphenyl)imidazo[1,5-a]pyridine
SMILESCc1ccc(-c2ncc3c(/C(=C/C(C)(C)C)c4ccccc4)cccn23)cc1
InChIInChI=1S/C26H26N2/c1-19-12-14-21(15-13-19)25-27-18-24-22(11-8-16-28(24)25)23(17-26(2,3)4)20-9-6-5-7-10-20/h5-18H,1-4H3/b23-17+
InChIKeyVWKXMLGZLQXCGS-HAVVHWLPSA-N
MW366.51 g/mol
LogP6.79
Rot. Bonds3

About 8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methylphenyl)imidazo[1,5-a]pyridine

8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methylphenyl)imidazo[1,5-a]pyridine (PubChem CID 132597677) has the molecular formula C26H26N2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methylphenyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methylphenyl)imidazo[1,5-a]pyridine
PubChem CID132597677
Molecular FormulaC26H26N2
Molecular Weight366.51 g/mol
Exact Mass366.21
IUPAC Name8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methylphenyl)imidazo[1,5-a]pyridine
SMILESCc1ccc(-c2ncc3c(/C(=C/C(C)(C)C)c4ccccc4)cccn23)cc1
InChIInChI=1S/C26H26N2/c1-19-12-14-21(15-13-19)25-27-18-24-22(11-8-16-28(24)25)23(17-26(2,3)4)20-9-6-5-7-10-20/h5-18H,1-4H3/b23-17+
InChIKeyVWKXMLGZLQXCGS-HAVVHWLPSA-N
XLogP6.79
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-fluorophenyl)imidazo[1,5-a]pyridine
CID 134847912
8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine
CID 132597671
3-(4-chlorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 84738796
4-(8-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid
CID 117158606
4-(8-methylimidazo[1,5-a]pyridin-3-yl)phenol
CID 137006648
4-(8-aminoimidazo[1,5-a]pyridin-3-yl)phenol
CID 137006649
8-chloro-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
CID 117147210
1-[(Z)-4-bromo-3,3,4,4-tetrafluoro-1-phenylbut-1-enyl]-4-methylbenzene
CID 132943042
3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 84737805
2-methyl-4,4-diphenylbut-3-en-2-amine
CID 11118093
(3,3-difluoro-1-phenylbut-1-enyl)benzene
CID 174901374
3-(3-hydroxyphenyl)imidazo[1,5-a]pyridine-8-carbaldehyde
CID 84736715

Frequently Asked Questions

What is the IUPAC name of 8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methylphenyl)imidazo[1,5-a]pyridine?
The IUPAC name of 8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methylphenyl)imidazo[1,5-a]pyridine (CID 132597677) is 8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methylphenyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methylphenyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methylphenyl)imidazo[1,5-a]pyridine is Cc1ccc(-c2ncc3c(/C(=C/C(C)(C)C)c4ccccc4)cccn23)cc1.
What is the InChIKey of 8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methylphenyl)imidazo[1,5-a]pyridine?
The InChIKey is VWKXMLGZLQXCGS-HAVVHWLPSA-N. The full InChI is InChI=1S/C26H26N2/c1-19-12-14-21(15-13-19)25-27-18-24-22(11-8-16-28(24)25)23(17-26(2,3)4)20-9-6-5-7-10-20/h5-18H,1-4H3/b23-17+.
What are the key properties of 8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methylphenyl)imidazo[1,5-a]pyridine?
8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methylphenyl)imidazo[1,5-a]pyridine has a molecular weight of 366.51 g/mol, XLogP of 6.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-3,3-dimethyl-1-phenylbut-1-enyl]-3-(4-methylphenyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 132597677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).