6-methyl-2,3-diphenyl-7H-cyclohepta[d]imidazole

C21H18N2 — CID 142408476

IUPAC6-methyl-2,3-diphenyl-7H-cyclohepta[d]imidazole
SMILESCC1=CC=c2c(nc(-c3ccccc3)n2-c2ccccc2)=CC1
InChIInChI=1S/C21H18N2/c1-16-12-14-19-20(15-13-16)23(18-10-6-3-7-11-18)21(22-19)17-8-4-2-5-9-17/h2-11,13-15H,12H2,1H3
InChIKeyKAHJLTFPUDJRKQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.45
Rot. Bonds2

About 6-methyl-2,3-diphenyl-7H-cyclohepta[d]imidazole

6-methyl-2,3-diphenyl-7H-cyclohepta[d]imidazole (PubChem CID 142408476) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-methyl-2,3-diphenyl-7H-cyclohepta[d]imidazole.

Molecular Properties

Compound Name6-methyl-2,3-diphenyl-7H-cyclohepta[d]imidazole
PubChem CID142408476
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name6-methyl-2,3-diphenyl-7H-cyclohepta[d]imidazole
SMILESCC1=CC=c2c(nc(-c3ccccc3)n2-c2ccccc2)=CC1
InChIInChI=1S/C21H18N2/c1-16-12-14-19-20(15-13-16)23(18-10-6-3-7-11-18)21(22-19)17-8-4-2-5-9-17/h2-11,13-15H,12H2,1H3
InChIKeyKAHJLTFPUDJRKQ-UHFFFAOYSA-N
XLogP3.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 143688558
5-methyl-1,2-diphenylbenzimidazole
CID 45104351
5-chloro-1,2-diphenylimidazol-4-amine
CID 23064514
tris(3-methyl-4,5-diphenyl-1,2,4-triazole);ruthenium(3+)
CID 158954413
1,2-diphenylbenzimidazole;ethane;iridium;propane
CID 142394497
2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-5,6-dihydrobenzimidazole
CID 164976500
2,3,6-triphenylpyrimidin-4-one
CID 13280772
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
1,2-diphenylcyclohepta[d]imidazol-4-one
CID 10017572
5-tert-butyl-2,3-diphenylimidazo[4,5-b]pyridine
CID 164826174
7-methyl-1,2-diphenylpyrido[2,3-d]pyrimidin-4-one
CID 1490401

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3-diphenyl-7H-cyclohepta[d]imidazole?
The IUPAC name of 6-methyl-2,3-diphenyl-7H-cyclohepta[d]imidazole (CID 142408476) is 6-methyl-2,3-diphenyl-7H-cyclohepta[d]imidazole.
What is the SMILES notation for 6-methyl-2,3-diphenyl-7H-cyclohepta[d]imidazole?
The canonical SMILES for 6-methyl-2,3-diphenyl-7H-cyclohepta[d]imidazole is CC1=CC=c2c(nc(-c3ccccc3)n2-c2ccccc2)=CC1.
What is the InChIKey of 6-methyl-2,3-diphenyl-7H-cyclohepta[d]imidazole?
The InChIKey is KAHJLTFPUDJRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c1-16-12-14-19-20(15-13-16)23(18-10-6-3-7-11-18)21(22-19)17-8-4-2-5-9-17/h2-11,13-15H,12H2,1H3.
What are the key properties of 6-methyl-2,3-diphenyl-7H-cyclohepta[d]imidazole?
6-methyl-2,3-diphenyl-7H-cyclohepta[d]imidazole has a molecular weight of 298.39 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3-diphenyl-7H-cyclohepta[d]imidazole is sourced from PubChem (CID 142408476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).