1-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]cyclopropane-1-carbonitrile

C13H9BrFN3 — CID 122510479

IUPAC1-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]cyclopropane-1-carbonitrile
SMILESN#CC1(n2cnc(-c3ccc(F)cc3)c2Br)CC1
InChIInChI=1S/C13H9BrFN3/c14-12-11(9-1-3-10(15)4-2-9)17-8-18(12)13(7-16)5-6-13/h1-4,8H,5-6H2
InChIKeyYXKIPLJDHOXXHX-UHFFFAOYSA-N
MW306.14 g/mol
LogP3.46
Rot. Bonds2

About 1-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]cyclopropane-1-carbonitrile

1-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]cyclopropane-1-carbonitrile (PubChem CID 122510479) has the molecular formula C13H9BrFN3 and a molecular weight of 306.14 g/mol. Its IUPAC name is 1-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]cyclopropane-1-carbonitrile
PubChem CID122510479
Molecular FormulaC13H9BrFN3
Molecular Weight306.14 g/mol
Exact Mass305.00
IUPAC Name1-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]cyclopropane-1-carbonitrile
SMILESN#CC1(n2cnc(-c3ccc(F)cc3)c2Br)CC1
InChIInChI=1S/C13H9BrFN3/c14-12-11(9-1-3-10(15)4-2-9)17-8-18(12)13(7-16)5-6-13/h1-4,8H,5-6H2
InChIKeyYXKIPLJDHOXXHX-UHFFFAOYSA-N
XLogP3.46
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-6,6-difluoro-2-(4-fluorophenyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 169305930
3-bromo-5,5-bis(deuteriomethyl)-2-(4-fluorophenyl)-4,6-dihydropyrrolo[1,2-b]pyrazole
CID 175892955
6-[3-[1-(difluoromethyl)cyclopropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine
CID 122510466
5-(4-fluorophenyl)pyrimidine-2-carbonitrile
CID 608076
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
5-bromo-3-(4-fluorophenyl)-1-(4-nitrophenyl)pyrazole-4-carbaldehyde
CID 87405743
4-bromo-7-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine
CID 123392944
1-ethyl-4,5-bis(4-fluorophenyl)imidazole
CID 56925474
3-bromo-8-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyrazine
CID 122655923
3-[[4-bromo-3-(4-fluorophenyl)pyrazol-1-yl]methyl]benzonitrile
CID 67074192
3-tert-butyl-5-(4-fluorophenyl)imidazole-4-carbaldehyde
CID 10681861
4-[4-(4-fluorophenyl)-5-[4-(methylamino)pyrimidin-2-yl]imidazol-1-yl]-4-methylcyclohexane-1,1-diol
CID 69106721

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]cyclopropane-1-carbonitrile (CID 122510479) is 1-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]cyclopropane-1-carbonitrile is N#CC1(n2cnc(-c3ccc(F)cc3)c2Br)CC1.
What is the InChIKey of 1-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]cyclopropane-1-carbonitrile?
The InChIKey is YXKIPLJDHOXXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3/c14-12-11(9-1-3-10(15)4-2-9)17-8-18(12)13(7-16)5-6-13/h1-4,8H,5-6H2.
What are the key properties of 1-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]cyclopropane-1-carbonitrile?
1-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]cyclopropane-1-carbonitrile has a molecular weight of 306.14 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 122510479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).