5-[4-(2-methylpropyl)phenyl]-1H-imidazole-2-carbonitrile

C14H15N3 — CID 116879850

IUPAC5-[4-(2-methylpropyl)phenyl]-1H-imidazole-2-carbonitrile
SMILESCC(C)Cc1ccc(-c2cnc(C#N)[nH]2)cc1
InChIInChI=1S/C14H15N3/c1-10(2)7-11-3-5-12(6-4-11)13-9-16-14(8-15)17-13/h3-6,9-10H,7H2,1-2H3,(H,16,17)
InChIKeyOQQDVKRODFKAIR-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.15
Rot. Bonds3

About 5-[4-(2-methylpropyl)phenyl]-1H-imidazole-2-carbonitrile

5-[4-(2-methylpropyl)phenyl]-1H-imidazole-2-carbonitrile (PubChem CID 116879850) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-[4-(2-methylpropyl)phenyl]-1H-imidazole-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(2-methylpropyl)phenyl]-1H-imidazole-2-carbonitrile
PubChem CID116879850
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name5-[4-(2-methylpropyl)phenyl]-1H-imidazole-2-carbonitrile
SMILESCC(C)Cc1ccc(-c2cnc(C#N)[nH]2)cc1
InChIInChI=1S/C14H15N3/c1-10(2)7-11-3-5-12(6-4-11)13-9-16-14(8-15)17-13/h3-6,9-10H,7H2,1-2H3,(H,16,17)
InChIKeyOQQDVKRODFKAIR-UHFFFAOYSA-N
XLogP3.15
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-ethylphenyl)-1H-imidazole-2-carbonitrile
CID 14455646
5-(4-methylphenyl)-1H-imidazole-2-carbonitrile
CID 14455635
[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]hydrazine
CID 116884087
5-(4-ethylsulfonylphenyl)-1H-imidazole-2-carbonitrile
CID 116879916
2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]propan-1-amine
CID 65232619
N-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852192
6-[4-(2-methylpropyl)phenyl]-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 63896816
2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
CID 68887507
5-pyridin-3-yl-1H-imidazole-2-carbonitrile
CID 116879944
3-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]piperidine
CID 43651004
3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanenitrile
CID 116880113
2-[4-(2-methylpropyl)phenyl]-1H-indole-3-carbonitrile
CID 93189767

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methylpropyl)phenyl]-1H-imidazole-2-carbonitrile?
The IUPAC name of 5-[4-(2-methylpropyl)phenyl]-1H-imidazole-2-carbonitrile (CID 116879850) is 5-[4-(2-methylpropyl)phenyl]-1H-imidazole-2-carbonitrile.
What is the SMILES notation for 5-[4-(2-methylpropyl)phenyl]-1H-imidazole-2-carbonitrile?
The canonical SMILES for 5-[4-(2-methylpropyl)phenyl]-1H-imidazole-2-carbonitrile is CC(C)Cc1ccc(-c2cnc(C#N)[nH]2)cc1.
What is the InChIKey of 5-[4-(2-methylpropyl)phenyl]-1H-imidazole-2-carbonitrile?
The InChIKey is OQQDVKRODFKAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-10(2)7-11-3-5-12(6-4-11)13-9-16-14(8-15)17-13/h3-6,9-10H,7H2,1-2H3,(H,16,17).
What are the key properties of 5-[4-(2-methylpropyl)phenyl]-1H-imidazole-2-carbonitrile?
5-[4-(2-methylpropyl)phenyl]-1H-imidazole-2-carbonitrile has a molecular weight of 225.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methylpropyl)phenyl]-1H-imidazole-2-carbonitrile is sourced from PubChem (CID 116879850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).