1,4-diphenyl-2-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-5-(2,4,6-trimethylphenyl)imidazole

C35H34N4 — CID 153453731

IUPAC1,4-diphenyl-2-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-5-(2,4,6-trimethylphenyl)imidazole
SMILESCc1cc(C)c(-c2c(-c3ccccc3)nc(CCN3C=CN(c4ccccc4)C3)n2-c2ccccc2)c(C)c1
InChIInChI=1S/C35H34N4/c1-26-23-27(2)33(28(3)24-26)35-34(29-13-7-4-8-14-29)36-32(39(35)31-17-11-6-12-18-31)19-20-37-21-22-38(25-37)30-15-9-5-10-16-30/h4-18,21-24H,19-20,25H2,1-3H3
InChIKeySNGDBQGPNBELQB-UHFFFAOYSA-N
MW510.69 g/mol
LogP7.92
Rot. Bonds7

About 1,4-diphenyl-2-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-5-(2,4,6-trimethylphenyl)imidazole

1,4-diphenyl-2-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-5-(2,4,6-trimethylphenyl)imidazole (PubChem CID 153453731) has the molecular formula C35H34N4 and a molecular weight of 510.69 g/mol. Its IUPAC name is 1,4-diphenyl-2-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-5-(2,4,6-trimethylphenyl)imidazole.

Molecular Properties

Compound Name1,4-diphenyl-2-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-5-(2,4,6-trimethylphenyl)imidazole
PubChem CID153453731
Molecular FormulaC35H34N4
Molecular Weight510.69 g/mol
Exact Mass510.28
IUPAC Name1,4-diphenyl-2-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-5-(2,4,6-trimethylphenyl)imidazole
SMILESCc1cc(C)c(-c2c(-c3ccccc3)nc(CCN3C=CN(c4ccccc4)C3)n2-c2ccccc2)c(C)c1
InChIInChI=1S/C35H34N4/c1-26-23-27(2)33(28(3)24-26)35-34(29-13-7-4-8-14-29)36-32(39(35)31-17-11-6-12-18-31)19-20-37-21-22-38(25-37)30-15-9-5-10-16-30/h4-18,21-24H,19-20,25H2,1-3H3
InChIKeySNGDBQGPNBELQB-UHFFFAOYSA-N
XLogP7.92
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.69
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole
CID 19020129
tert-butyl-dimethyl-[2-(3-phenyl-2H-imidazol-1-yl)ethoxy]silane
CID 141042117
9-(4-phenylphenyl)-3,6-bis(1,4,5-triphenylimidazol-2-yl)carbazole
CID 141396920
[3-(3,4-diphenylpyrazol-1-yl)phenyl]-[3-(4-phenyl-3H-1,2,4-triazol-2-yl)phenyl]-(2,4,6-trimethylphenyl)borane
CID 153446679
1-[4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-3-phenyl-2H-imidazole
CID 164783146
2-phenyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-amine
CID 63469518
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
4-(5-ethyl-1,4-diphenylimidazol-2-yl)phenol
CID 135540827
1,5-dimethyl-4-phenyl-2-propylimidazole
CID 45097384
3-[2-(4,5-diphenylimidazol-1-yl)ethyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
CID 1212037
2-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]sulfanylacetic acid
CID 3472388
2-[2-(4-methylphenoxy)ethylsulfanyl]-1,4,5-triphenylimidazole
CID 5228080

Frequently Asked Questions

What is the IUPAC name of 1,4-diphenyl-2-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-5-(2,4,6-trimethylphenyl)imidazole?
The IUPAC name of 1,4-diphenyl-2-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-5-(2,4,6-trimethylphenyl)imidazole (CID 153453731) is 1,4-diphenyl-2-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-5-(2,4,6-trimethylphenyl)imidazole.
What is the SMILES notation for 1,4-diphenyl-2-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-5-(2,4,6-trimethylphenyl)imidazole?
The canonical SMILES for 1,4-diphenyl-2-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-5-(2,4,6-trimethylphenyl)imidazole is Cc1cc(C)c(-c2c(-c3ccccc3)nc(CCN3C=CN(c4ccccc4)C3)n2-c2ccccc2)c(C)c1.
What is the InChIKey of 1,4-diphenyl-2-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-5-(2,4,6-trimethylphenyl)imidazole?
The InChIKey is SNGDBQGPNBELQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N4/c1-26-23-27(2)33(28(3)24-26)35-34(29-13-7-4-8-14-29)36-32(39(35)31-17-11-6-12-18-31)19-20-37-21-22-38(25-37)30-15-9-5-10-16-30/h4-18,21-24H,19-20,25H2,1-3H3.
What are the key properties of 1,4-diphenyl-2-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-5-(2,4,6-trimethylphenyl)imidazole?
1,4-diphenyl-2-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-5-(2,4,6-trimethylphenyl)imidazole has a molecular weight of 510.69 g/mol, XLogP of 7.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenyl-2-[2-(3-phenyl-2H-imidazol-1-yl)ethyl]-5-(2,4,6-trimethylphenyl)imidazole is sourced from PubChem (CID 153453731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).