2-cyclopropyl-5-(4-methylphenyl)-3-prop-2-enylimidazol-4-amine

C16H19N3 — CID 62220393

IUPAC2-cyclopropyl-5-(4-methylphenyl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C2CC2)nc(-c2ccc(C)cc2)c1N
InChIInChI=1S/C16H19N3/c1-3-10-19-15(17)14(18-16(19)13-8-9-13)12-6-4-11(2)5-7-12/h3-7,13H,1,8-10,17H2,2H3
InChIKeyWOXAKGBJKPDPPQ-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.50
Rot. Bonds4

About 2-cyclopropyl-5-(4-methylphenyl)-3-prop-2-enylimidazol-4-amine

2-cyclopropyl-5-(4-methylphenyl)-3-prop-2-enylimidazol-4-amine (PubChem CID 62220393) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-cyclopropyl-5-(4-methylphenyl)-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-5-(4-methylphenyl)-3-prop-2-enylimidazol-4-amine
PubChem CID62220393
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-cyclopropyl-5-(4-methylphenyl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C2CC2)nc(-c2ccc(C)cc2)c1N
InChIInChI=1S/C16H19N3/c1-3-10-19-15(17)14(18-16(19)13-8-9-13)12-6-4-11(2)5-7-12/h3-7,13H,1,8-10,17H2,2H3
InChIKeyWOXAKGBJKPDPPQ-UHFFFAOYSA-N
XLogP3.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-Diphenyl-2-methylimidazole
CID 236696
1-Methyl-5-phenyl-imidazol-2-amine
CID 1132927
2-Hexyl-5-[4-(2-methylpropyl)phenyl]-1H-imidazole
CID 9795821
2-heptan-4-yl-5-(4-phenylphenyl)-1H-imidazole
CID 9923013
5-phenyl-2-undecan-6-yl-1H-imidazole
CID 9944114
Lepidiline B
CID 9862174
3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine
CID 767584
5-(4-tert-butylphenyl)-2-heptan-4-yl-1H-imidazole
CID 17957748
4,5-Diphenyl-2-(propan-2-yl)-1h-imidazole
CID 294543
1-Methyl-4,5-diphenyl-1H-imidazole
CID 12974798
2-(4-phenyl-1H-imidazol-1-yl)ethan-1-amine
CID 24971324
5-(3,4-Dimethyl-phenyl)-1-methyl-1H-imidazol-2-ylamine
CID 653440

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(4-methylphenyl)-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 2-cyclopropyl-5-(4-methylphenyl)-3-prop-2-enylimidazol-4-amine (CID 62220393) is 2-cyclopropyl-5-(4-methylphenyl)-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 2-cyclopropyl-5-(4-methylphenyl)-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 2-cyclopropyl-5-(4-methylphenyl)-3-prop-2-enylimidazol-4-amine is C=CCn1c(C2CC2)nc(-c2ccc(C)cc2)c1N.
What is the InChIKey of 2-cyclopropyl-5-(4-methylphenyl)-3-prop-2-enylimidazol-4-amine?
The InChIKey is WOXAKGBJKPDPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-3-10-19-15(17)14(18-16(19)13-8-9-13)12-6-4-11(2)5-7-12/h3-7,13H,1,8-10,17H2,2H3.
What are the key properties of 2-cyclopropyl-5-(4-methylphenyl)-3-prop-2-enylimidazol-4-amine?
2-cyclopropyl-5-(4-methylphenyl)-3-prop-2-enylimidazol-4-amine has a molecular weight of 253.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(4-methylphenyl)-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 62220393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).