4-(5-amino-1-tert-butyl-2-methylimidazol-4-yl)benzonitrile

C15H18N4 — CID 55048115

IUPAC4-(5-amino-1-tert-butyl-2-methylimidazol-4-yl)benzonitrile
SMILESCc1nc(-c2ccc(C#N)cc2)c(N)n1C(C)(C)C
InChIInChI=1S/C15H18N4/c1-10-18-13(14(17)19(10)15(2,3)4)12-7-5-11(9-16)6-8-12/h5-8H,17H2,1-4H3
InChIKeyNETZPFVQUSVCNO-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.07
Rot. Bonds1

About 4-(5-amino-1-tert-butyl-2-methylimidazol-4-yl)benzonitrile

4-(5-amino-1-tert-butyl-2-methylimidazol-4-yl)benzonitrile (PubChem CID 55048115) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-(5-amino-1-tert-butyl-2-methylimidazol-4-yl)benzonitrile.

Molecular Properties

Compound Name4-(5-amino-1-tert-butyl-2-methylimidazol-4-yl)benzonitrile
PubChem CID55048115
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-(5-amino-1-tert-butyl-2-methylimidazol-4-yl)benzonitrile
SMILESCc1nc(-c2ccc(C#N)cc2)c(N)n1C(C)(C)C
InChIInChI=1S/C15H18N4/c1-10-18-13(14(17)19(10)15(2,3)4)12-7-5-11(9-16)6-8-12/h5-8H,17H2,1-4H3
InChIKeyNETZPFVQUSVCNO-UHFFFAOYSA-N
XLogP3.07
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-2-methyl-5-naphthalen-2-ylimidazol-4-amine
CID 62226168
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CID 106531898
4-(3-amino-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
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4-(5-amino-4-hydroxy-1-methylpyrazol-3-yl)benzonitrile
CID 134439924
4-(1,5-diamino-2-cyclopropylimidazol-4-yl)benzonitrile
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4-(2-amino-5-methylpyrimidin-4-yl)benzonitrile
CID 68627082
4-[2,5-bis(4-cyanophenyl)-1-methylimidazol-4-yl]benzonitrile
CID 141483083
4-[5-amino-6-methoxy-3-(4-methylphenyl)pyrazin-2-yl]benzonitrile
CID 144996685
4-(5-amino-1-butyl-2-propan-2-ylimidazol-4-yl)benzonitrile
CID 62220346
4-(6-amino-3-bromo-2-pyridinyl)benzonitrile
CID 122582132
4-(1,2-dimethylimidazol-4-yl)benzonitrile
CID 59597714
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CID 58090541

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1-tert-butyl-2-methylimidazol-4-yl)benzonitrile?
The IUPAC name of 4-(5-amino-1-tert-butyl-2-methylimidazol-4-yl)benzonitrile (CID 55048115) is 4-(5-amino-1-tert-butyl-2-methylimidazol-4-yl)benzonitrile.
What is the SMILES notation for 4-(5-amino-1-tert-butyl-2-methylimidazol-4-yl)benzonitrile?
The canonical SMILES for 4-(5-amino-1-tert-butyl-2-methylimidazol-4-yl)benzonitrile is Cc1nc(-c2ccc(C#N)cc2)c(N)n1C(C)(C)C.
What is the InChIKey of 4-(5-amino-1-tert-butyl-2-methylimidazol-4-yl)benzonitrile?
The InChIKey is NETZPFVQUSVCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-10-18-13(14(17)19(10)15(2,3)4)12-7-5-11(9-16)6-8-12/h5-8H,17H2,1-4H3.
What are the key properties of 4-(5-amino-1-tert-butyl-2-methylimidazol-4-yl)benzonitrile?
4-(5-amino-1-tert-butyl-2-methylimidazol-4-yl)benzonitrile has a molecular weight of 254.34 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1-tert-butyl-2-methylimidazol-4-yl)benzonitrile is sourced from PubChem (CID 55048115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).