2-methyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine

C13H19N5 — CID 66130948

IUPAC2-methyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine
SMILESC=CCn1c(C)nc(-c2cncn2CCC)c1N
InChIInChI=1S/C13H19N5/c1-4-6-17-9-15-8-11(17)12-13(14)18(7-5-2)10(3)16-12/h5,8-9H,2,4,6-7,14H2,1,3H3
InChIKeyVNOGKSVCKSBHDH-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.23
Rot. Bonds5

About 2-methyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine

2-methyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine (PubChem CID 66130948) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine.

Molecular Properties

Compound Name2-methyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine
PubChem CID66130948
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-methyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine
SMILESC=CCn1c(C)nc(-c2cncn2CCC)c1N
InChIInChI=1S/C13H19N5/c1-4-6-17-9-15-8-11(17)12-13(14)18(7-5-2)10(3)16-12/h5,8-9H,2,4,6-7,14H2,1,3H3
InChIKeyVNOGKSVCKSBHDH-UHFFFAOYSA-N
XLogP2.23
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine?
The IUPAC name of 2-methyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine (CID 66130948) is 2-methyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine.
What is the SMILES notation for 2-methyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine?
The canonical SMILES for 2-methyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine is C=CCn1c(C)nc(-c2cncn2CCC)c1N.
What is the InChIKey of 2-methyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine?
The InChIKey is VNOGKSVCKSBHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-6-17-9-15-8-11(17)12-13(14)18(7-5-2)10(3)16-12/h5,8-9H,2,4,6-7,14H2,1,3H3.
What are the key properties of 2-methyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine?
2-methyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine is sourced from PubChem (CID 66130948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).