N-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-N-fluoro-2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)aniline

C42H44FN7 — CID 144725489

IUPACN-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-N-fluoro-2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1-n1ccnc1-c1ccccc1C(C)(C)N(F)c1ccccc1N1c2nccnc2N(c2ccccc2)C1C
InChIInChI=1S/C42H44FN7/c1-28(2)32-19-15-20-33(29(3)4)38(32)47-27-26-46-39(47)34-18-11-12-21-35(34)42(6,7)50(43)37-23-14-13-22-36(37)49-30(5)48(31-16-9-8-10-17-31)40-41(49)45-25-24-44-40/h8-30H,1-7H3
InChIKeyRKGZEMUCOADCLW-UHFFFAOYSA-N
MW665.86 g/mol
LogP10.84
Rot. Bonds9

About N-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-N-fluoro-2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)aniline

N-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-N-fluoro-2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)aniline (PubChem CID 144725489) has the molecular formula C42H44FN7 and a molecular weight of 665.86 g/mol. Its IUPAC name is N-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-N-fluoro-2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)aniline.

Molecular Properties

Compound NameN-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-N-fluoro-2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)aniline
PubChem CID144725489
Molecular FormulaC42H44FN7
Molecular Weight665.86 g/mol
Exact Mass665.36
IUPAC NameN-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-N-fluoro-2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1-n1ccnc1-c1ccccc1C(C)(C)N(F)c1ccccc1N1c2nccnc2N(c2ccccc2)C1C
InChIInChI=1S/C42H44FN7/c1-28(2)32-19-15-20-33(29(3)4)38(32)47-27-26-46-39(47)34-18-11-12-21-35(34)42(6,7)50(43)37-23-14-13-22-36(37)49-30(5)48(31-16-9-8-10-17-31)40-41(49)45-25-24-44-40/h8-30H,1-7H3
InChIKeyRKGZEMUCOADCLW-UHFFFAOYSA-N
XLogP10.84
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.86
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,3-dimethylpentan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole;ethane
CID 145383767
2-[2-(3,4-dimethylhexan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole
CID 123378670
(2R)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine
CID 155603202
CID 162072603
CID 162072603
1-[2,6-di(propan-2-yl)phenyl]-2-[5-[3-[5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]pyrrol-1-id-2-yl]-2,3-dimethylbutan-2-yl]pyrrol-1-id-2-yl]imidazole;platinum(2+)
CID 162466983
3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine
CID 121403727
1-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]sulfanylphenyl]-3-methyl-2H-imidazo[4,5-b]pyridine
CID 140593550
2-[2-(2-methylbutan-2-yl)phenyl]-1-(2,4,6-trimethylphenyl)imidazole
CID 143943961
2-(2,3,4,5,6-pentadeuteriophenyl)-1-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-propan-2-ylphenyl]imidazole
CID 118944080
5-(2,6-diphenylphenyl)-6-methylimidazo[1,2-c][1,3,2]benzodiazaborinin-10-ol;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium
CID 162493991
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole
CID 140803144
N-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-N-phenyl-3-(1-phenylimidazol-2-yl)aniline
CID 140594023

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-N-fluoro-2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)aniline?
The IUPAC name of N-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-N-fluoro-2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)aniline (CID 144725489) is N-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-N-fluoro-2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)aniline.
What is the SMILES notation for N-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-N-fluoro-2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)aniline?
The canonical SMILES for N-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-N-fluoro-2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)aniline is CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1ccccc1C(C)(C)N(F)c1ccccc1N1c2nccnc2N(c2ccccc2)C1C.
What is the InChIKey of N-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-N-fluoro-2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)aniline?
The InChIKey is RKGZEMUCOADCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H44FN7/c1-28(2)32-19-15-20-33(29(3)4)38(32)47-27-26-46-39(47)34-18-11-12-21-35(34)42(6,7)50(43)37-23-14-13-22-36(37)49-30(5)48(31-16-9-8-10-17-31)40-41(49)45-25-24-44-40/h8-30H,1-7H3.
What are the key properties of N-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-N-fluoro-2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)aniline?
N-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-N-fluoro-2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)aniline has a molecular weight of 665.86 g/mol, XLogP of 10.84, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-N-fluoro-2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)aniline is sourced from PubChem (CID 144725489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).