1-decyl-2-(2,4-diphenylbutyl)imidazole

C29H40N2 — CID 69388019

IUPAC1-decyl-2-(2,4-diphenylbutyl)imidazole
SMILESCCCCCCCCCCn1ccnc1CC(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C29H40N2/c1-2-3-4-5-6-7-8-15-23-31-24-22-30-29(31)25-28(27-18-13-10-14-19-27)21-20-26-16-11-9-12-17-26/h9-14,16-19,22,24,28H,2-8,15,20-21,23,25H2,1H3
InChIKeyKTESKKKYZYBRKM-UHFFFAOYSA-N
MW416.65 g/mol
LogP7.98
Rot. Bonds15

About 1-decyl-2-(2,4-diphenylbutyl)imidazole

1-decyl-2-(2,4-diphenylbutyl)imidazole (PubChem CID 69388019) has the molecular formula C29H40N2 and a molecular weight of 416.65 g/mol. Its IUPAC name is 1-decyl-2-(2,4-diphenylbutyl)imidazole.

Molecular Properties

Compound Name1-decyl-2-(2,4-diphenylbutyl)imidazole
PubChem CID69388019
Molecular FormulaC29H40N2
Molecular Weight416.65 g/mol
Exact Mass416.32
IUPAC Name1-decyl-2-(2,4-diphenylbutyl)imidazole
SMILESCCCCCCCCCCn1ccnc1CC(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C29H40N2/c1-2-3-4-5-6-7-8-15-23-31-24-22-30-29(31)25-28(27-18-13-10-14-19-27)21-20-26-16-11-9-12-17-26/h9-14,16-19,22,24,28H,2-8,15,20-21,23,25H2,1H3
InChIKeyKTESKKKYZYBRKM-UHFFFAOYSA-N
XLogP7.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.65
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-phenyl-3-(1-propylimidazol-2-yl)propan-1-amine
CID 81023984
N-methyl-4-phenyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79751946
1-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705
1,2-di(pentadecyl)imidazole
CID 69388452
1-dodecyl-2-ethylimidazole;hydrochloride
CID 70439493
1-(1-octylimidazol-2-yl)propan-2-amine
CID 63096350
1-(1-decylimidazol-2-yl)butan-2-amine
CID 63095303
1-benzyl-2-octylimidazole
CID 70491727
CID 57052104
CID 57052104
1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-amine
CID 79751475
1-phenyl-4-(1-propylimidazol-2-yl)butan-1-ol
CID 79761213
1-phenylundecan-2-ylbenzene
CID 22919994

Frequently Asked Questions

What is the IUPAC name of 1-decyl-2-(2,4-diphenylbutyl)imidazole?
The IUPAC name of 1-decyl-2-(2,4-diphenylbutyl)imidazole (CID 69388019) is 1-decyl-2-(2,4-diphenylbutyl)imidazole.
What is the SMILES notation for 1-decyl-2-(2,4-diphenylbutyl)imidazole?
The canonical SMILES for 1-decyl-2-(2,4-diphenylbutyl)imidazole is CCCCCCCCCCn1ccnc1CC(CCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-decyl-2-(2,4-diphenylbutyl)imidazole?
The InChIKey is KTESKKKYZYBRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N2/c1-2-3-4-5-6-7-8-15-23-31-24-22-30-29(31)25-28(27-18-13-10-14-19-27)21-20-26-16-11-9-12-17-26/h9-14,16-19,22,24,28H,2-8,15,20-21,23,25H2,1H3.
What are the key properties of 1-decyl-2-(2,4-diphenylbutyl)imidazole?
1-decyl-2-(2,4-diphenylbutyl)imidazole has a molecular weight of 416.65 g/mol, XLogP of 7.98, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2-(2,4-diphenylbutyl)imidazole is sourced from PubChem (CID 69388019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).