1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole

C38H30N4 — CID 15794352

IUPAC1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole
SMILESc1ccc(-c2ncn(Cc3ccccc3Cn3cnc(-c4ccccc4)c3-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C38H30N4/c1-5-15-29(16-6-1)35-37(31-19-9-3-10-20-31)41(27-39-35)25-33-23-13-14-24-34(33)26-42-28-40-36(30-17-7-2-8-18-30)38(42)32-21-11-4-12-22-32/h1-24,27-28H,25-26H2
InChIKeyJVSAIZTWDDGIOG-UHFFFAOYSA-N
MW542.69 g/mol
LogP8.84
Rot. Bonds8

About 1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole

1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole (PubChem CID 15794352) has the molecular formula C38H30N4 and a molecular weight of 542.69 g/mol. Its IUPAC name is 1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole.

Molecular Properties

Compound Name1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole
PubChem CID15794352
Molecular FormulaC38H30N4
Molecular Weight542.69 g/mol
Exact Mass542.25
IUPAC Name1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole
SMILESc1ccc(-c2ncn(Cc3ccccc3Cn3cnc(-c4ccccc4)c3-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C38H30N4/c1-5-15-29(16-6-1)35-37(31-19-9-3-10-20-31)41(27-39-35)25-33-23-13-14-24-34(33)26-42-28-40-36(30-17-7-2-8-18-30)38(42)32-21-11-4-12-22-32/h1-24,27-28H,25-26H2
InChIKeyJVSAIZTWDDGIOG-UHFFFAOYSA-N
XLogP8.84
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.69
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-diphenyl-1-propylimidazole
CID 14950648
(1S)-2-(4,5-diphenylimidazol-1-yl)-1-phenylethanol
CID 11850984
2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)acetic acid
CID 70723096
7-(4,5-diphenylimidazol-1-yl)-1-phenylheptan-2-one
CID 10179650
3-(3-benzyl-5-phenylimidazol-4-yl)-2-methylcyclohex-2-en-1-one
CID 162402925
[5-[3-(1H-indol-4-ylmethyl)-5-phenylimidazol-4-yl]furan-2-yl]methanol
CID 50962501
1-[3-(3-ethoxypropoxy)propyl]-4,5-diphenylimidazole
CID 10133391
3-(2-methylpropyl)-5-phenylimidazol-4-amine
CID 62017938
1-carbazol-9-yl-3-(4,5-diphenylimidazol-1-yl)propan-2-ol
CID 2836174
4,5-diphenyl-1-prop-1-ynylimidazole
CID 170637236
4-[3-[4-(methylamino)butyl]-5-phenylimidazol-4-yl]phenol
CID 50978507
3-(5-phenyl-3-prop-2-ynylimidazol-4-yl)quinoline
CID 50973787

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole?
The IUPAC name of 1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole (CID 15794352) is 1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole.
What is the SMILES notation for 1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole?
The canonical SMILES for 1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole is c1ccc(-c2ncn(Cc3ccccc3Cn3cnc(-c4ccccc4)c3-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole?
The InChIKey is JVSAIZTWDDGIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N4/c1-5-15-29(16-6-1)35-37(31-19-9-3-10-20-31)41(27-39-35)25-33-23-13-14-24-34(33)26-42-28-40-36(30-17-7-2-8-18-30)38(42)32-21-11-4-12-22-32/h1-24,27-28H,25-26H2.
What are the key properties of 1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole?
1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole has a molecular weight of 542.69 g/mol, XLogP of 8.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole is sourced from PubChem (CID 15794352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).