1-butyl-2,5-bis(4-methylphenyl)imidazole

C21H24N2 — CID 122388334

IUPAC1-butyl-2,5-bis(4-methylphenyl)imidazole
SMILESCCCCn1c(-c2ccc(C)cc2)cnc1-c1ccc(C)cc1
InChIInChI=1S/C21H24N2/c1-4-5-14-23-20(18-10-6-16(2)7-11-18)15-22-21(23)19-12-8-17(3)9-13-19/h6-13,15H,4-5,14H2,1-3H3
InChIKeyNWNJTQOZGRDQMW-UHFFFAOYSA-N
MW304.44 g/mol
LogP5.63
Rot. Bonds5

About 1-butyl-2,5-bis(4-methylphenyl)imidazole

1-butyl-2,5-bis(4-methylphenyl)imidazole (PubChem CID 122388334) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-butyl-2,5-bis(4-methylphenyl)imidazole.

Molecular Properties

Compound Name1-butyl-2,5-bis(4-methylphenyl)imidazole
PubChem CID122388334
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name1-butyl-2,5-bis(4-methylphenyl)imidazole
SMILESCCCCn1c(-c2ccc(C)cc2)cnc1-c1ccc(C)cc1
InChIInChI=1S/C21H24N2/c1-4-5-14-23-20(18-10-6-16(2)7-11-18)15-22-21(23)19-12-8-17(3)9-13-19/h6-13,15H,4-5,14H2,1-3H3
InChIKeyNWNJTQOZGRDQMW-UHFFFAOYSA-N
XLogP5.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bifonazole
CID 2378
Fadrozole
CID 59693
2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo(1,5-a)pyridin-5-yl)-, hydrochloride (1:1)
CID 59694
PF-670462
CID 51049607
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
1-benzyl-5-phenyl-1H-imidazole
CID 10444038
1-Benzyl-3-cetyl-2-methylimidazolium iodide
CID 10436839
FR-79620
CID 10421577
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine
CID 735319

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,5-bis(4-methylphenyl)imidazole?
The IUPAC name of 1-butyl-2,5-bis(4-methylphenyl)imidazole (CID 122388334) is 1-butyl-2,5-bis(4-methylphenyl)imidazole.
What is the SMILES notation for 1-butyl-2,5-bis(4-methylphenyl)imidazole?
The canonical SMILES for 1-butyl-2,5-bis(4-methylphenyl)imidazole is CCCCn1c(-c2ccc(C)cc2)cnc1-c1ccc(C)cc1.
What is the InChIKey of 1-butyl-2,5-bis(4-methylphenyl)imidazole?
The InChIKey is NWNJTQOZGRDQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-4-5-14-23-20(18-10-6-16(2)7-11-18)15-22-21(23)19-12-8-17(3)9-13-19/h6-13,15H,4-5,14H2,1-3H3.
What are the key properties of 1-butyl-2,5-bis(4-methylphenyl)imidazole?
1-butyl-2,5-bis(4-methylphenyl)imidazole has a molecular weight of 304.44 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,5-bis(4-methylphenyl)imidazole is sourced from PubChem (CID 122388334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).