5-(3-cyclopropylimidazol-4-yl)-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine

C16H19N5 — CID 79499329

IUPAC5-(3-cyclopropylimidazol-4-yl)-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine
SMILESCc1cccc(N2C(N)=NCC2c2cncn2C2CC2)c1
InChIInChI=1S/C16H19N5/c1-11-3-2-4-13(7-11)21-15(9-19-16(21)17)14-8-18-10-20(14)12-5-6-12/h2-4,7-8,10,12,15H,5-6,9H2,1H3,(H2,17,19)
InChIKeyALQWJXMAMYVUTO-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.40
Rot. Bonds3

About 5-(3-cyclopropylimidazol-4-yl)-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine

5-(3-cyclopropylimidazol-4-yl)-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79499329) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-(3-cyclopropylimidazol-4-yl)-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(3-cyclopropylimidazol-4-yl)-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79499329
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name5-(3-cyclopropylimidazol-4-yl)-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine
SMILESCc1cccc(N2C(N)=NCC2c2cncn2C2CC2)c1
InChIInChI=1S/C16H19N5/c1-11-3-2-4-13(7-11)21-15(9-19-16(21)17)14-8-18-10-20(14)12-5-6-12/h2-4,7-8,10,12,15H,5-6,9H2,1H3,(H2,17,19)
InChIKeyALQWJXMAMYVUTO-UHFFFAOYSA-N
XLogP2.40
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropylimidazol-4-yl)-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(3-cyclopropylimidazol-4-yl)-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine (CID 79499329) is 5-(3-cyclopropylimidazol-4-yl)-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(3-cyclopropylimidazol-4-yl)-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(3-cyclopropylimidazol-4-yl)-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine is Cc1cccc(N2C(N)=NCC2c2cncn2C2CC2)c1.
What is the InChIKey of 5-(3-cyclopropylimidazol-4-yl)-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is ALQWJXMAMYVUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-11-3-2-4-13(7-11)21-15(9-19-16(21)17)14-8-18-10-20(14)12-5-6-12/h2-4,7-8,10,12,15H,5-6,9H2,1H3,(H2,17,19).
What are the key properties of 5-(3-cyclopropylimidazol-4-yl)-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine?
5-(3-cyclopropylimidazol-4-yl)-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 281.36 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropylimidazol-4-yl)-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79499329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).