2-(4-bromo-2-methoxyphenyl)-1-cyclopropyl-4-(trifluoromethyl)imidazole

C14H12BrF3N2O — CID 170707376

IUPAC2-(4-bromo-2-methoxyphenyl)-1-cyclopropyl-4-(trifluoromethyl)imidazole
SMILESCOc1cc(Br)ccc1-c1nc(C(F)(F)F)cn1C1CC1
InChIInChI=1S/C14H12BrF3N2O/c1-21-11-6-8(15)2-5-10(11)13-19-12(14(16,17)18)7-20(13)9-3-4-9/h2,5-7,9H,3-4H2,1H3
InChIKeyKRSIQFSNYUULMF-UHFFFAOYSA-N
MW361.16 g/mol
LogP4.67
Rot. Bonds3

About 2-(4-bromo-2-methoxyphenyl)-1-cyclopropyl-4-(trifluoromethyl)imidazole

2-(4-bromo-2-methoxyphenyl)-1-cyclopropyl-4-(trifluoromethyl)imidazole (PubChem CID 170707376) has the molecular formula C14H12BrF3N2O and a molecular weight of 361.16 g/mol. Its IUPAC name is 2-(4-bromo-2-methoxyphenyl)-1-cyclopropyl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-(4-bromo-2-methoxyphenyl)-1-cyclopropyl-4-(trifluoromethyl)imidazole
PubChem CID170707376
Molecular FormulaC14H12BrF3N2O
Molecular Weight361.16 g/mol
Exact Mass360.01
IUPAC Name2-(4-bromo-2-methoxyphenyl)-1-cyclopropyl-4-(trifluoromethyl)imidazole
SMILESCOc1cc(Br)ccc1-c1nc(C(F)(F)F)cn1C1CC1
InChIInChI=1S/C14H12BrF3N2O/c1-21-11-6-8(15)2-5-10(11)13-19-12(14(16,17)18)7-20(13)9-3-4-9/h2,5-7,9H,3-4H2,1H3
InChIKeyKRSIQFSNYUULMF-UHFFFAOYSA-N
XLogP4.67
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.16
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methanol
CID 170707572
2-(4-bromo-2-fluorophenyl)-1-methyl-4-(trifluoromethyl)imidazole
CID 168800104
2-(4-bromo-2-ethenylphenyl)-1-methyl-4-(trifluoromethyl)imidazole
CID 171530473
6-chloro-4-cyclopropyl-3-[2-methoxy-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one
CID 166125302
4-amino-3-(4-bromo-2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 69058666
4-(5-bromo-2-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole
CID 116967679
5-(5-bromo-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 116861952
4-bromo-2-methoxy-1-phenylbenzene
CID 18379655
2-(4-bromo-2-nitrophenyl)-1-methyl-4-(trifluoromethyl)imidazole
CID 171530562
ethyl 6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoropyridine-3-carboxylate
CID 172585675
1-(4-bromo-2-methoxyphenyl)-3,5-dimethoxybenzene
CID 163198275
3-(4-bromo-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 115370047

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methoxyphenyl)-1-cyclopropyl-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-(4-bromo-2-methoxyphenyl)-1-cyclopropyl-4-(trifluoromethyl)imidazole (CID 170707376) is 2-(4-bromo-2-methoxyphenyl)-1-cyclopropyl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-(4-bromo-2-methoxyphenyl)-1-cyclopropyl-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-(4-bromo-2-methoxyphenyl)-1-cyclopropyl-4-(trifluoromethyl)imidazole is COc1cc(Br)ccc1-c1nc(C(F)(F)F)cn1C1CC1.
What is the InChIKey of 2-(4-bromo-2-methoxyphenyl)-1-cyclopropyl-4-(trifluoromethyl)imidazole?
The InChIKey is KRSIQFSNYUULMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3N2O/c1-21-11-6-8(15)2-5-10(11)13-19-12(14(16,17)18)7-20(13)9-3-4-9/h2,5-7,9H,3-4H2,1H3.
What are the key properties of 2-(4-bromo-2-methoxyphenyl)-1-cyclopropyl-4-(trifluoromethyl)imidazole?
2-(4-bromo-2-methoxyphenyl)-1-cyclopropyl-4-(trifluoromethyl)imidazole has a molecular weight of 361.16 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methoxyphenyl)-1-cyclopropyl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 170707376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).