5-(3,4-dichlorophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine

C15H17Cl2N3 — CID 63468915

IUPAC5-(3,4-dichlorophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine
SMILESC=CCn1c(CCC)nc(-c2ccc(Cl)c(Cl)c2)c1N
InChIInChI=1S/C15H17Cl2N3/c1-3-5-13-19-14(15(18)20(13)8-4-2)10-6-7-11(16)12(17)9-10/h4,6-7,9H,2-3,5,8,18H2,1H3
InChIKeyDZRWLBKEGQHYGZ-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.58
Rot. Bonds5

About 5-(3,4-dichlorophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine

5-(3,4-dichlorophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine (PubChem CID 63468915) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine
PubChem CID63468915
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC Name5-(3,4-dichlorophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine
SMILESC=CCn1c(CCC)nc(-c2ccc(Cl)c(Cl)c2)c1N
InChIInChI=1S/C15H17Cl2N3/c1-3-5-13-19-14(15(18)20(13)8-4-2)10-6-7-11(16)12(17)9-10/h4,6-7,9H,2-3,5,8,18H2,1H3
InChIKeyDZRWLBKEGQHYGZ-UHFFFAOYSA-N
XLogP4.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3,4-dichlorophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine?
The IUPAC name of 5-(3,4-dichlorophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine (CID 63468915) is 5-(3,4-dichlorophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine?
The canonical SMILES for 5-(3,4-dichlorophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine is C=CCn1c(CCC)nc(-c2ccc(Cl)c(Cl)c2)c1N.
What is the InChIKey of 5-(3,4-dichlorophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine?
The InChIKey is DZRWLBKEGQHYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c1-3-5-13-19-14(15(18)20(13)8-4-2)10-6-7-11(16)12(17)9-10/h4,6-7,9H,2-3,5,8,18H2,1H3.
What are the key properties of 5-(3,4-dichlorophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine?
5-(3,4-dichlorophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine has a molecular weight of 310.23 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine is sourced from PubChem (CID 63468915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).