5-bromo-1-(3-cyclopropylphenyl)imidazole-4-carbonitrile

C13H10BrN3 — CID 130469589

IUPAC5-bromo-1-(3-cyclopropylphenyl)imidazole-4-carbonitrile
SMILESN#Cc1ncn(-c2cccc(C3CC3)c2)c1Br
InChIInChI=1S/C13H10BrN3/c14-13-12(7-15)16-8-17(13)11-3-1-2-10(6-11)9-4-5-9/h1-3,6,8-9H,4-5H2
InChIKeyQJMJNTYYHAXUKD-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.38
Rot. Bonds2

About 5-bromo-1-(3-cyclopropylphenyl)imidazole-4-carbonitrile

5-bromo-1-(3-cyclopropylphenyl)imidazole-4-carbonitrile (PubChem CID 130469589) has the molecular formula C13H10BrN3 and a molecular weight of 288.15 g/mol. Its IUPAC name is 5-bromo-1-(3-cyclopropylphenyl)imidazole-4-carbonitrile.

Molecular Properties

Compound Name5-bromo-1-(3-cyclopropylphenyl)imidazole-4-carbonitrile
PubChem CID130469589
Molecular FormulaC13H10BrN3
Molecular Weight288.15 g/mol
Exact Mass287.01
IUPAC Name5-bromo-1-(3-cyclopropylphenyl)imidazole-4-carbonitrile
SMILESN#Cc1ncn(-c2cccc(C3CC3)c2)c1Br
InChIInChI=1S/C13H10BrN3/c14-13-12(7-15)16-8-17(13)11-3-1-2-10(6-11)9-4-5-9/h1-3,6,8-9H,4-5H2
InChIKeyQJMJNTYYHAXUKD-UHFFFAOYSA-N
XLogP3.38
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-(3-bromophenyl)imidazole-4-carbonitrile
CID 129452946
3-(3-fluorophenyl)-5-piperidin-4-ylimidazole-4-carbonitrile
CID 118427029
5-amino-1-(2-bromophenyl)imidazole-4-carbonitrile
CID 129453009
3-(thian-4-yl)benzonitrile
CID 117292000
5-cyclopropyl-1-(3-prop-1-en-2-ylphenyl)benzimidazole
CID 142946883
1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile
CID 114854944
3-(3-cyclopropylphenyl)-5-[1-[[4-(3-methyl-2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]cyclopropyl]imidazole-4-carbonitrile
CID 138542693
3-[3-(5-cyclopropylbenzimidazol-1-yl)phenyl]-1,2-oxazole
CID 11324072
2-(2-bromo-5-cyclopropylphenyl)acetonitrile
CID 68804489
5-chloro-3-cyclopropyl-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 63788275
1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile
CID 115944874
2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one
CID 79980623

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3-cyclopropylphenyl)imidazole-4-carbonitrile?
The IUPAC name of 5-bromo-1-(3-cyclopropylphenyl)imidazole-4-carbonitrile (CID 130469589) is 5-bromo-1-(3-cyclopropylphenyl)imidazole-4-carbonitrile.
What is the SMILES notation for 5-bromo-1-(3-cyclopropylphenyl)imidazole-4-carbonitrile?
The canonical SMILES for 5-bromo-1-(3-cyclopropylphenyl)imidazole-4-carbonitrile is N#Cc1ncn(-c2cccc(C3CC3)c2)c1Br.
What is the InChIKey of 5-bromo-1-(3-cyclopropylphenyl)imidazole-4-carbonitrile?
The InChIKey is QJMJNTYYHAXUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3/c14-13-12(7-15)16-8-17(13)11-3-1-2-10(6-11)9-4-5-9/h1-3,6,8-9H,4-5H2.
What are the key properties of 5-bromo-1-(3-cyclopropylphenyl)imidazole-4-carbonitrile?
5-bromo-1-(3-cyclopropylphenyl)imidazole-4-carbonitrile has a molecular weight of 288.15 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(3-cyclopropylphenyl)imidazole-4-carbonitrile is sourced from PubChem (CID 130469589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).