2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile

C14H14BrN3 — CID 116880575

IUPAC2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile
SMILESCc1ccc(Br)cc1-c1cnc(C(C)(C)C#N)[nH]1
InChIInChI=1S/C14H14BrN3/c1-9-4-5-10(15)6-11(9)12-7-17-13(18-12)14(2,3)8-16/h4-7H,1-3H3,(H,17,18)
InChIKeyYONJPKLSIRSGFS-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.95
Rot. Bonds2

About 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile

2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile (PubChem CID 116880575) has the molecular formula C14H14BrN3 and a molecular weight of 304.19 g/mol. Its IUPAC name is 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile
PubChem CID116880575
Molecular FormulaC14H14BrN3
Molecular Weight304.19 g/mol
Exact Mass303.04
IUPAC Name2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile
SMILESCc1ccc(Br)cc1-c1cnc(C(C)(C)C#N)[nH]1
InChIInChI=1S/C14H14BrN3/c1-9-4-5-10(15)6-11(9)12-7-17-13(18-12)14(2,3)8-16/h4-7H,1-3H3,(H,17,18)
InChIKeyYONJPKLSIRSGFS-UHFFFAOYSA-N
XLogP3.95
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoate
CID 116880482
5-(5-bromo-2-methylphenyl)-2-methoxy-1H-imidazole
CID 116883755
2-[5-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile
CID 116880587
4-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]aniline
CID 116877778
2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]ethanethiol
CID 116879349
2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile
CID 116880579
2-[4-(5-bromo-2-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 116865217
3-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 116876977
2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882782
5-(5-bromo-2-methylphenyl)-1H-pyrazole
CID 116869080
1-cyclopropyl-1-[5-(2,5-dimethylphenyl)-1H-imidazol-2-yl]ethanamine
CID 60866141
1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid
CID 116882398

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile (CID 116880575) is 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile is Cc1ccc(Br)cc1-c1cnc(C(C)(C)C#N)[nH]1.
What is the InChIKey of 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile?
The InChIKey is YONJPKLSIRSGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3/c1-9-4-5-10(15)6-11(9)12-7-17-13(18-12)14(2,3)8-16/h4-7H,1-3H3,(H,17,18).
What are the key properties of 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile?
2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile has a molecular weight of 304.19 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile is sourced from PubChem (CID 116880575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).