1-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile

C13H10BrN3 — CID 116881915

IUPAC1-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2ncc(-c3cccc(Br)c3)[nH]2)CC1
InChIInChI=1S/C13H10BrN3/c14-10-3-1-2-9(6-10)11-7-16-12(17-11)13(8-15)4-5-13/h1-3,6-7H,4-5H2,(H,16,17)
InChIKeyZMISDVZYJRBKGG-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.39
Rot. Bonds2

About 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile

1-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile (PubChem CID 116881915) has the molecular formula C13H10BrN3 and a molecular weight of 288.15 g/mol. Its IUPAC name is 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile
PubChem CID116881915
Molecular FormulaC13H10BrN3
Molecular Weight288.15 g/mol
Exact Mass287.01
IUPAC Name1-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2ncc(-c3cccc(Br)c3)[nH]2)CC1
InChIInChI=1S/C13H10BrN3/c14-10-3-1-2-9(6-10)11-7-16-12(17-11)13(8-15)4-5-13/h1-3,6-7H,4-5H2,(H,16,17)
InChIKeyZMISDVZYJRBKGG-UHFFFAOYSA-N
XLogP3.39
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile (CID 116881915) is 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile is N#CC1(c2ncc(-c3cccc(Br)c3)[nH]2)CC1.
What is the InChIKey of 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile?
The InChIKey is ZMISDVZYJRBKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3/c14-10-3-1-2-9(6-10)11-7-16-12(17-11)13(8-15)4-5-13/h1-3,6-7H,4-5H2,(H,16,17).
What are the key properties of 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile?
1-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile has a molecular weight of 288.15 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 116881915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).