4-(2-amino-3-methylimidazol-4-yl)benzonitrile

C11H10N4 — CID 53324150

IUPAC4-(2-amino-3-methylimidazol-4-yl)benzonitrile
SMILESCn1c(-c2ccc(C#N)cc2)cnc1N
InChIInChI=1S/C11H10N4/c1-15-10(7-14-11(15)13)9-4-2-8(6-12)3-5-9/h2-5,7H,1H3,(H2,13,14)
InChIKeyCLDZXLWWTRJHGQ-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.54
Rot. Bonds1

About 4-(2-amino-3-methylimidazol-4-yl)benzonitrile

4-(2-amino-3-methylimidazol-4-yl)benzonitrile (PubChem CID 53324150) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 4-(2-amino-3-methylimidazol-4-yl)benzonitrile.

Molecular Properties

Compound Name4-(2-amino-3-methylimidazol-4-yl)benzonitrile
PubChem CID53324150
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name4-(2-amino-3-methylimidazol-4-yl)benzonitrile
SMILESCn1c(-c2ccc(C#N)cc2)cnc1N
InChIInChI=1S/C11H10N4/c1-15-10(7-14-11(15)13)9-4-2-8(6-12)3-5-9/h2-5,7H,1H3,(H2,13,14)
InChIKeyCLDZXLWWTRJHGQ-UHFFFAOYSA-N
XLogP1.54
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-methylimidazol-4-yl)benzonitrile?
The IUPAC name of 4-(2-amino-3-methylimidazol-4-yl)benzonitrile (CID 53324150) is 4-(2-amino-3-methylimidazol-4-yl)benzonitrile.
What is the SMILES notation for 4-(2-amino-3-methylimidazol-4-yl)benzonitrile?
The canonical SMILES for 4-(2-amino-3-methylimidazol-4-yl)benzonitrile is Cn1c(-c2ccc(C#N)cc2)cnc1N.
What is the InChIKey of 4-(2-amino-3-methylimidazol-4-yl)benzonitrile?
The InChIKey is CLDZXLWWTRJHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-15-10(7-14-11(15)13)9-4-2-8(6-12)3-5-9/h2-5,7H,1H3,(H2,13,14).
What are the key properties of 4-(2-amino-3-methylimidazol-4-yl)benzonitrile?
4-(2-amino-3-methylimidazol-4-yl)benzonitrile has a molecular weight of 198.23 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-methylimidazol-4-yl)benzonitrile is sourced from PubChem (CID 53324150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).