4-[2,6-di(propan-2-yl)phenyl]-3-phenyl-1,2-dihydroimidazole

C21H26N2 — CID 170660523

IUPAC4-[2,6-di(propan-2-yl)phenyl]-3-phenyl-1,2-dihydroimidazole
SMILESCC(C)c1cccc(C(C)C)c1C1=CNCN1c1ccccc1
InChIInChI=1S/C21H26N2/c1-15(2)18-11-8-12-19(16(3)4)21(18)20-13-22-14-23(20)17-9-6-5-7-10-17/h5-13,15-16,22H,14H2,1-4H3
InChIKeyQWDMCTIXNOBBCQ-UHFFFAOYSA-N
MW306.45 g/mol
LogP5.30
Rot. Bonds4

About 4-[2,6-di(propan-2-yl)phenyl]-3-phenyl-1,2-dihydroimidazole

4-[2,6-di(propan-2-yl)phenyl]-3-phenyl-1,2-dihydroimidazole (PubChem CID 170660523) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 4-[2,6-di(propan-2-yl)phenyl]-3-phenyl-1,2-dihydroimidazole.

Molecular Properties

Compound Name4-[2,6-di(propan-2-yl)phenyl]-3-phenyl-1,2-dihydroimidazole
PubChem CID170660523
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name4-[2,6-di(propan-2-yl)phenyl]-3-phenyl-1,2-dihydroimidazole
SMILESCC(C)c1cccc(C(C)C)c1C1=CNCN1c1ccccc1
InChIInChI=1S/C21H26N2/c1-15(2)18-11-8-12-19(16(3)4)21(18)20-13-22-14-23(20)17-9-6-5-7-10-17/h5-13,15-16,22H,14H2,1-4H3
InChIKeyQWDMCTIXNOBBCQ-UHFFFAOYSA-N
XLogP5.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2,6-di(propan-2-yl)phenyl]-1-phenylpyrazole
CID 134308768
5-[2,6-di(propan-2-yl)phenyl]-3,4-dimethyl-1-phenylpyrazole
CID 153435552
1,3-diphenyl-2H-benzimidazole;bis(4-ethenyl-3-phenyl-1,2-dihydroimidazole)
CID 159936724
aziridine;1,2-di(propan-2-yl)benzene
CID 88841585
1,2-diphenyl-3-propan-2-ylbenzene
CID 20568657
2-phenyl-3-propan-2-ylphenol
CID 54177325
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
7-propan-2-yl-2,3-dihydroinden-1-one
CID 45096604
4-[2,6-di(propan-2-yl)phenyl]-2-methyl-5-phenyl-3H-1,2,4-triazole
CID 22956556
2-(4-methoxyphenyl)-7-propan-2-yl-3H-isoindol-1-one
CID 167034371
3-[2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-1,12b-dihydroimidazo[1,2-f]phenanthridine
CID 140871808
2-[2,6-di(propan-2-yl)phenyl]pyridine
CID 141394538

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-di(propan-2-yl)phenyl]-3-phenyl-1,2-dihydroimidazole?
The IUPAC name of 4-[2,6-di(propan-2-yl)phenyl]-3-phenyl-1,2-dihydroimidazole (CID 170660523) is 4-[2,6-di(propan-2-yl)phenyl]-3-phenyl-1,2-dihydroimidazole.
What is the SMILES notation for 4-[2,6-di(propan-2-yl)phenyl]-3-phenyl-1,2-dihydroimidazole?
The canonical SMILES for 4-[2,6-di(propan-2-yl)phenyl]-3-phenyl-1,2-dihydroimidazole is CC(C)c1cccc(C(C)C)c1C1=CNCN1c1ccccc1.
What is the InChIKey of 4-[2,6-di(propan-2-yl)phenyl]-3-phenyl-1,2-dihydroimidazole?
The InChIKey is QWDMCTIXNOBBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-15(2)18-11-8-12-19(16(3)4)21(18)20-13-22-14-23(20)17-9-6-5-7-10-17/h5-13,15-16,22H,14H2,1-4H3.
What are the key properties of 4-[2,6-di(propan-2-yl)phenyl]-3-phenyl-1,2-dihydroimidazole?
4-[2,6-di(propan-2-yl)phenyl]-3-phenyl-1,2-dihydroimidazole has a molecular weight of 306.45 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-di(propan-2-yl)phenyl]-3-phenyl-1,2-dihydroimidazole is sourced from PubChem (CID 170660523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).