1-[(2-cyclopropylphenyl)methylideneamino]-4-methylimidazol-2-amine

C14H16N4 — CID 168629566

IUPAC1-[(2-cyclopropylphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccccc2C2CC2)c(N)n1
InChIInChI=1S/C14H16N4/c1-10-9-18(14(15)17-10)16-8-12-4-2-3-5-13(12)11-6-7-11/h2-5,8-9,11H,6-7H2,1H3,(H2,15,17)
InChIKeyWKLVAVMCPVGAJX-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.53
Rot. Bonds3

About 1-[(2-cyclopropylphenyl)methylideneamino]-4-methylimidazol-2-amine

1-[(2-cyclopropylphenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168629566) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-[(2-cyclopropylphenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(2-cyclopropylphenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168629566
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name1-[(2-cyclopropylphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccccc2C2CC2)c(N)n1
InChIInChI=1S/C14H16N4/c1-10-9-18(14(15)17-10)16-8-12-4-2-3-5-13(12)11-6-7-11/h2-5,8-9,11H,6-7H2,1H3,(H2,15,17)
InChIKeyWKLVAVMCPVGAJX-UHFFFAOYSA-N
XLogP2.53
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopropylphenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(2-cyclopropylphenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168629566) is 1-[(2-cyclopropylphenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(2-cyclopropylphenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(2-cyclopropylphenyl)methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2ccccc2C2CC2)c(N)n1.
What is the InChIKey of 1-[(2-cyclopropylphenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is WKLVAVMCPVGAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-10-9-18(14(15)17-10)16-8-12-4-2-3-5-13(12)11-6-7-11/h2-5,8-9,11H,6-7H2,1H3,(H2,15,17).
What are the key properties of 1-[(2-cyclopropylphenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(2-cyclopropylphenyl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 240.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopropylphenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168629566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).