3-[2-(4,5-diphenyl-1-propylimidazol-2-yl)phenyl]aniline

C30H27N3 — CID 20577315

IUPAC3-[2-(4,5-diphenyl-1-propylimidazol-2-yl)phenyl]aniline
SMILESCCCn1c(-c2ccccc2-c2cccc(N)c2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H27N3/c1-2-20-33-29(23-14-7-4-8-15-23)28(22-12-5-3-6-13-22)32-30(33)27-19-10-9-18-26(27)24-16-11-17-25(31)21-24/h3-19,21H,2,20,31H2,1H3
InChIKeyWZVZSVTXNFIKJY-UHFFFAOYSA-N
MW429.57 g/mol
LogP7.54
Rot. Bonds6

About 3-[2-(4,5-diphenyl-1-propylimidazol-2-yl)phenyl]aniline

3-[2-(4,5-diphenyl-1-propylimidazol-2-yl)phenyl]aniline (PubChem CID 20577315) has the molecular formula C30H27N3 and a molecular weight of 429.57 g/mol. Its IUPAC name is 3-[2-(4,5-diphenyl-1-propylimidazol-2-yl)phenyl]aniline.

Molecular Properties

Compound Name3-[2-(4,5-diphenyl-1-propylimidazol-2-yl)phenyl]aniline
PubChem CID20577315
Molecular FormulaC30H27N3
Molecular Weight429.57 g/mol
Exact Mass429.22
IUPAC Name3-[2-(4,5-diphenyl-1-propylimidazol-2-yl)phenyl]aniline
SMILESCCCn1c(-c2ccccc2-c2cccc(N)c2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H27N3/c1-2-20-33-29(23-14-7-4-8-15-23)28(22-12-5-3-6-13-22)32-30(33)27-19-10-9-18-26(27)24-16-11-17-25(31)21-24/h3-19,21H,2,20,31H2,1H3
InChIKeyWZVZSVTXNFIKJY-UHFFFAOYSA-N
XLogP7.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.57
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Benzyl-2-phenylbenzimidazole
CID 1221687
4-(4,5-Diphenyl-1H-imidazol-2-yl)-N,N-dimethylaniline
CID 237339
1,2-dibenzyl-1H-1,3-benzodiazole
CID 1350539
1-(2,6-Difluorobenzyl)-2-(2,6-difluorophenyl)-4-ethylbenzimidazole
CID 492674
1-(4-Methylbenzyl)-2-(4-methylphenyl)-1h-benzimidazole
CID 15552557
2-Methyl-1-[(2-methylphenyl)methyl]benzimidazole
CID 2139165
1-(2-Methylprop-2-enyl)-2-phenylbenzimidazole
CID 881644
Buterizine
CID 189902
A-381393
CID 11301655
3,4-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 827882
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 974484
1,3-dibenzyl-2-methyl-1H-3,1-benzimidazol-3-ium chloride
CID 2841357

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,5-diphenyl-1-propylimidazol-2-yl)phenyl]aniline?
The IUPAC name of 3-[2-(4,5-diphenyl-1-propylimidazol-2-yl)phenyl]aniline (CID 20577315) is 3-[2-(4,5-diphenyl-1-propylimidazol-2-yl)phenyl]aniline.
What is the SMILES notation for 3-[2-(4,5-diphenyl-1-propylimidazol-2-yl)phenyl]aniline?
The canonical SMILES for 3-[2-(4,5-diphenyl-1-propylimidazol-2-yl)phenyl]aniline is CCCn1c(-c2ccccc2-c2cccc(N)c2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 3-[2-(4,5-diphenyl-1-propylimidazol-2-yl)phenyl]aniline?
The InChIKey is WZVZSVTXNFIKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3/c1-2-20-33-29(23-14-7-4-8-15-23)28(22-12-5-3-6-13-22)32-30(33)27-19-10-9-18-26(27)24-16-11-17-25(31)21-24/h3-19,21H,2,20,31H2,1H3.
What are the key properties of 3-[2-(4,5-diphenyl-1-propylimidazol-2-yl)phenyl]aniline?
3-[2-(4,5-diphenyl-1-propylimidazol-2-yl)phenyl]aniline has a molecular weight of 429.57 g/mol, XLogP of 7.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,5-diphenyl-1-propylimidazol-2-yl)phenyl]aniline is sourced from PubChem (CID 20577315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).