5-[4-(dimethylamino)phenyl]-3-prop-2-enylimidazol-4-amine

C14H18N4 — CID 62224158

IUPAC5-[4-(dimethylamino)phenyl]-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1cnc(-c2ccc(N(C)C)cc2)c1N
InChIInChI=1S/C14H18N4/c1-4-9-18-10-16-13(14(18)15)11-5-7-12(8-6-11)17(2)3/h4-8,10H,1,9,15H2,2-3H3
InChIKeyQKOMJKVHFFOPPD-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.38
Rot. Bonds4

About 5-[4-(dimethylamino)phenyl]-3-prop-2-enylimidazol-4-amine

5-[4-(dimethylamino)phenyl]-3-prop-2-enylimidazol-4-amine (PubChem CID 62224158) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]-3-prop-2-enylimidazol-4-amine
PubChem CID62224158
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name5-[4-(dimethylamino)phenyl]-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1cnc(-c2ccc(N(C)C)cc2)c1N
InChIInChI=1S/C14H18N4/c1-4-9-18-10-16-13(14(18)15)11-5-7-12(8-6-11)17(2)3/h4-8,10H,1,9,15H2,2-3H3
InChIKeyQKOMJKVHFFOPPD-UHFFFAOYSA-N
XLogP2.38
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-[4-(dimethylamino)phenyl]-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 5-[4-(dimethylamino)phenyl]-3-prop-2-enylimidazol-4-amine (CID 62224158) is 5-[4-(dimethylamino)phenyl]-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]-3-prop-2-enylimidazol-4-amine is C=CCn1cnc(-c2ccc(N(C)C)cc2)c1N.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]-3-prop-2-enylimidazol-4-amine?
The InChIKey is QKOMJKVHFFOPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-4-9-18-10-16-13(14(18)15)11-5-7-12(8-6-11)17(2)3/h4-8,10H,1,9,15H2,2-3H3.
What are the key properties of 5-[4-(dimethylamino)phenyl]-3-prop-2-enylimidazol-4-amine?
5-[4-(dimethylamino)phenyl]-3-prop-2-enylimidazol-4-amine has a molecular weight of 242.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 62224158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).