2-[2,4-difluoro-6-[(3S)-3-fluoro-2-methylbutan-2-yl]phenyl]-1-(2,6-dimethylphenyl)imidazole;ethane

C24H29F3N2 — CID 145179091

IUPAC2-[2,4-difluoro-6-[(3S)-3-fluoro-2-methylbutan-2-yl]phenyl]-1-(2,6-dimethylphenyl)imidazole;ethane
SMILESCC.Cc1cccc(C)c1-n1ccnc1-c1c(F)cc(F)cc1C(C)(C)[C@H](C)F
InChIInChI=1S/C22H23F3N2.C2H6/c1-13-7-6-8-14(2)20(13)27-10-9-26-21(27)19-17(22(4,5)15(3)23)11-16(24)12-18(19)25;1-2/h6-12,15H,1-5H3;1-2H3/t15-;/m0./s1
InChIKeyKYMJDBOQJQPRNS-RSAXXLAASA-N
MW402.50 g/mol
LogP7.10
Rot. Bonds4

About 2-[2,4-difluoro-6-[(3S)-3-fluoro-2-methylbutan-2-yl]phenyl]-1-(2,6-dimethylphenyl)imidazole;ethane

2-[2,4-difluoro-6-[(3S)-3-fluoro-2-methylbutan-2-yl]phenyl]-1-(2,6-dimethylphenyl)imidazole;ethane (PubChem CID 145179091) has the molecular formula C24H29F3N2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-[2,4-difluoro-6-[(3S)-3-fluoro-2-methylbutan-2-yl]phenyl]-1-(2,6-dimethylphenyl)imidazole;ethane.

Molecular Properties

Compound Name2-[2,4-difluoro-6-[(3S)-3-fluoro-2-methylbutan-2-yl]phenyl]-1-(2,6-dimethylphenyl)imidazole;ethane
PubChem CID145179091
Molecular FormulaC24H29F3N2
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC Name2-[2,4-difluoro-6-[(3S)-3-fluoro-2-methylbutan-2-yl]phenyl]-1-(2,6-dimethylphenyl)imidazole;ethane
SMILESCC.Cc1cccc(C)c1-n1ccnc1-c1c(F)cc(F)cc1C(C)(C)[C@H](C)F
InChIInChI=1S/C22H23F3N2.C2H6/c1-13-7-6-8-14(2)20(13)27-10-9-26-21(27)19-17(22(4,5)15(3)23)11-16(24)12-18(19)25;1-2/h6-12,15H,1-5H3;1-2H3/t15-;/m0./s1
InChIKeyKYMJDBOQJQPRNS-RSAXXLAASA-N
XLogP7.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluoro-6-methylphenyl)-1-(2,6-dimethylphenyl)imidazole
CID 163593022
1-[2-methyl-6-(trideuteriomethyl)phenyl]-2-phenylimidazole
CID 158537931
4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methylbenzonitrile
CID 170293555
1-(2,6-dimethylphenyl)-2-phenylimidazole;platinum
CID 58162919
1-(2,6-dimethylphenyl)-2-(4-methylbenzene-6-id-1-yl)imidazole;iridium
CID 58750753
2-(2,6-dimethoxyphenyl)-1-(5-fluoro-2-methylphenyl)imidazole
CID 56745803
1-(4-butyl-2,6-dimethylphenyl)-2-phenylimidazole;ethane;2-methylpropane
CID 144549338
2-[2-(2-methylbutan-2-yl)phenyl]-1-(2,4,6-trimethylphenyl)imidazole
CID 143943961
butan-2-ol;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium
CID 155610263
1-(2,6-ditert-butyl-4-methylphenyl)-2-phenylimidazole
CID 140703322
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
2-[2-(2,3-dimethylpentan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole;ethane
CID 145383767

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-difluoro-6-[(3S)-3-fluoro-2-methylbutan-2-yl]phenyl]-1-(2,6-dimethylphenyl)imidazole;ethane?
The IUPAC name of 2-[2,4-difluoro-6-[(3S)-3-fluoro-2-methylbutan-2-yl]phenyl]-1-(2,6-dimethylphenyl)imidazole;ethane (CID 145179091) is 2-[2,4-difluoro-6-[(3S)-3-fluoro-2-methylbutan-2-yl]phenyl]-1-(2,6-dimethylphenyl)imidazole;ethane.
What is the SMILES notation for 2-[2,4-difluoro-6-[(3S)-3-fluoro-2-methylbutan-2-yl]phenyl]-1-(2,6-dimethylphenyl)imidazole;ethane?
The canonical SMILES for 2-[2,4-difluoro-6-[(3S)-3-fluoro-2-methylbutan-2-yl]phenyl]-1-(2,6-dimethylphenyl)imidazole;ethane is CC.Cc1cccc(C)c1-n1ccnc1-c1c(F)cc(F)cc1C(C)(C)[C@H](C)F.
What is the InChIKey of 2-[2,4-difluoro-6-[(3S)-3-fluoro-2-methylbutan-2-yl]phenyl]-1-(2,6-dimethylphenyl)imidazole;ethane?
The InChIKey is KYMJDBOQJQPRNS-RSAXXLAASA-N. The full InChI is InChI=1S/C22H23F3N2.C2H6/c1-13-7-6-8-14(2)20(13)27-10-9-26-21(27)19-17(22(4,5)15(3)23)11-16(24)12-18(19)25;1-2/h6-12,15H,1-5H3;1-2H3/t15-;/m0./s1.
What are the key properties of 2-[2,4-difluoro-6-[(3S)-3-fluoro-2-methylbutan-2-yl]phenyl]-1-(2,6-dimethylphenyl)imidazole;ethane?
2-[2,4-difluoro-6-[(3S)-3-fluoro-2-methylbutan-2-yl]phenyl]-1-(2,6-dimethylphenyl)imidazole;ethane has a molecular weight of 402.50 g/mol, XLogP of 7.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-difluoro-6-[(3S)-3-fluoro-2-methylbutan-2-yl]phenyl]-1-(2,6-dimethylphenyl)imidazole;ethane is sourced from PubChem (CID 145179091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).