1-phenyl-4-[3-[2-[3-(1-phenylimidazol-4-yl)phenyl]propan-2-yl]phenyl]imidazole

C33H28N4 — CID 58831048

IUPAC1-phenyl-4-[3-[2-[3-(1-phenylimidazol-4-yl)phenyl]propan-2-yl]phenyl]imidazole
SMILESCC(C)(c1cccc(-c2cn(-c3ccccc3)cn2)c1)c1cccc(-c2cn(-c3ccccc3)cn2)c1
InChIInChI=1S/C33H28N4/c1-33(2,27-13-9-11-25(19-27)31-21-36(23-34-31)29-15-5-3-6-16-29)28-14-10-12-26(20-28)32-22-37(24-35-32)30-17-7-4-8-18-30/h3-24H,1-2H3
InChIKeyNZYGPVDSQQCCQB-UHFFFAOYSA-N
MW480.62 g/mol
LogP7.72
Rot. Bonds6

About 1-phenyl-4-[3-[2-[3-(1-phenylimidazol-4-yl)phenyl]propan-2-yl]phenyl]imidazole

1-phenyl-4-[3-[2-[3-(1-phenylimidazol-4-yl)phenyl]propan-2-yl]phenyl]imidazole (PubChem CID 58831048) has the molecular formula C33H28N4 and a molecular weight of 480.62 g/mol. Its IUPAC name is 1-phenyl-4-[3-[2-[3-(1-phenylimidazol-4-yl)phenyl]propan-2-yl]phenyl]imidazole.

Molecular Properties

Compound Name1-phenyl-4-[3-[2-[3-(1-phenylimidazol-4-yl)phenyl]propan-2-yl]phenyl]imidazole
PubChem CID58831048
Molecular FormulaC33H28N4
Molecular Weight480.62 g/mol
Exact Mass480.23
IUPAC Name1-phenyl-4-[3-[2-[3-(1-phenylimidazol-4-yl)phenyl]propan-2-yl]phenyl]imidazole
SMILESCC(C)(c1cccc(-c2cn(-c3ccccc3)cn2)c1)c1cccc(-c2cn(-c3ccccc3)cn2)c1
InChIInChI=1S/C33H28N4/c1-33(2,27-13-9-11-25(19-27)31-21-36(23-34-31)29-15-5-3-6-16-29)28-14-10-12-26(20-28)32-22-37(24-35-32)30-17-7-4-8-18-30/h3-24H,1-2H3
InChIKeyNZYGPVDSQQCCQB-UHFFFAOYSA-N
XLogP7.72
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.62
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylphenyl)-4-phenylimidazole
CID 174700905
4-(4-phenylimidazol-1-yl)benzoic acid
CID 58156765
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CID 162707825
trimethyl-[2-[3-(2-phenylpropan-2-yl)phenyl]-4-pyridinyl]silane
CID 162707277
3-[4-(3-methoxyphenyl)imidazol-1-yl]aniline
CID 16666725
5-phenyl-2-[3-[4-[3-[3-[3-[4-(2-phenylpropan-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 163447851
3-phenyl-4-(1-phenylimidazol-4-yl)-5-(trifluoromethyl)-1,2-oxazole
CID 25130449
4-(1,1-dideuterio-2-methylpropyl)-2-[3-(2-phenylpropan-2-yl)phenyl]pyridine
CID 162709897
5-methyl-3-phenyl-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole
CID 23725748
[4-(4-phenylimidazol-1-yl)phenyl]methylcarbamic acid
CID 67529175
2-[3-(2-phenylpropan-2-yl)phenyl]quinazoline
CID 140676068
1-phenyl-3-[2-[3-[2-(1-phenylindol-3-yl)propan-2-yl]phenyl]propan-2-yl]indole
CID 59307596

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[3-[2-[3-(1-phenylimidazol-4-yl)phenyl]propan-2-yl]phenyl]imidazole?
The IUPAC name of 1-phenyl-4-[3-[2-[3-(1-phenylimidazol-4-yl)phenyl]propan-2-yl]phenyl]imidazole (CID 58831048) is 1-phenyl-4-[3-[2-[3-(1-phenylimidazol-4-yl)phenyl]propan-2-yl]phenyl]imidazole.
What is the SMILES notation for 1-phenyl-4-[3-[2-[3-(1-phenylimidazol-4-yl)phenyl]propan-2-yl]phenyl]imidazole?
The canonical SMILES for 1-phenyl-4-[3-[2-[3-(1-phenylimidazol-4-yl)phenyl]propan-2-yl]phenyl]imidazole is CC(C)(c1cccc(-c2cn(-c3ccccc3)cn2)c1)c1cccc(-c2cn(-c3ccccc3)cn2)c1.
What is the InChIKey of 1-phenyl-4-[3-[2-[3-(1-phenylimidazol-4-yl)phenyl]propan-2-yl]phenyl]imidazole?
The InChIKey is NZYGPVDSQQCCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N4/c1-33(2,27-13-9-11-25(19-27)31-21-36(23-34-31)29-15-5-3-6-16-29)28-14-10-12-26(20-28)32-22-37(24-35-32)30-17-7-4-8-18-30/h3-24H,1-2H3.
What are the key properties of 1-phenyl-4-[3-[2-[3-(1-phenylimidazol-4-yl)phenyl]propan-2-yl]phenyl]imidazole?
1-phenyl-4-[3-[2-[3-(1-phenylimidazol-4-yl)phenyl]propan-2-yl]phenyl]imidazole has a molecular weight of 480.62 g/mol, XLogP of 7.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[3-[2-[3-(1-phenylimidazol-4-yl)phenyl]propan-2-yl]phenyl]imidazole is sourced from PubChem (CID 58831048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).