5-(4-chlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine

C13H16ClN3 — CID 79498038

IUPAC5-(4-chlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
SMILESC=CCN1C(N)=NCC1(C)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3/c1-3-8-17-12(15)16-9-13(17,2)10-4-6-11(14)7-5-10/h3-7H,1,8-9H2,2H3,(H2,15,16)
InChIKeyBFLQKDQEUXSEAL-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.37
Rot. Bonds3

About 5-(4-chlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine

5-(4-chlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine (PubChem CID 79498038) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
PubChem CID79498038
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name5-(4-chlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
SMILESC=CCN1C(N)=NCC1(C)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3/c1-3-8-17-12(15)16-9-13(17,2)10-4-6-11(14)7-5-10/h3-7H,1,8-9H2,2H3,(H2,15,16)
InChIKeyBFLQKDQEUXSEAL-UHFFFAOYSA-N
XLogP2.37
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 52.37
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

JB 98064
CID 10810249
2-[(4-Chlorophenyl)methyl]-1-(3-pyrrolidin-1-ylpropyl)guanidine
CID 9862373
1-(4-Chlorobenzyl)-1-(5-(pyrrolidin-1-yl)pentyl)guanidine
CID 9930604
1-[(4-Chlorophenyl)methyl]-1-(6-pyrrolidin-1-ylhexyl)guanidine
CID 10337119
1-[(4-Chlorophenyl)methyl]-1-(8-pyrrolidin-1-yloctyl)guanidine
CID 10716035
2-[(4-Chlorophenyl)methyl]-1-(4-pyrrolidin-1-ylbutyl)guanidine
CID 10733648
2-[(4-Chlorophenyl)methyl]-1-(5-pyrrolidin-1-ylpentyl)guanidine
CID 10782132
1-[(4-Chlorophenyl)methyl]-1-(4-pyrrolidin-1-ylbutyl)guanidine
CID 10807460
4-(2-Chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 44371633
(5S)-1-butyl-5-phenyl-4,5-dihydroimidazol-2-amine
CID 23640809
[[(4-Chlorophenyl)methylamino]-[cyclohexyl(propan-2-yl)amino]methylidene]-dimethylazanium
CID 24778068
5-(3-Chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 44371829

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine (CID 79498038) is 5-(4-chlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine is C=CCN1C(N)=NCC1(C)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine?
The InChIKey is BFLQKDQEUXSEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-3-8-17-12(15)16-9-13(17,2)10-4-6-11(14)7-5-10/h3-7H,1,8-9H2,2H3,(H2,15,16).
What are the key properties of 5-(4-chlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine?
5-(4-chlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine has a molecular weight of 249.75 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine is sourced from PubChem (CID 79498038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).