1-cycloheptyl-5-(3,5-dichlorophenyl)-4,5-dihydroimidazol-2-amine

C16H21Cl2N3 — CID 79496568

IUPAC1-cycloheptyl-5-(3,5-dichlorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cc(Cl)cc(Cl)c2)N1C1CCCCCC1
InChIInChI=1S/C16H21Cl2N3/c17-12-7-11(8-13(18)9-12)15-10-20-16(19)21(15)14-5-3-1-2-4-6-14/h7-9,14-15H,1-6,10H2,(H2,19,20)
InChIKeyJVFYBWCMNLKRML-UHFFFAOYSA-N
MW326.27 g/mol
LogP4.39
Rot. Bonds2

About 1-cycloheptyl-5-(3,5-dichlorophenyl)-4,5-dihydroimidazol-2-amine

1-cycloheptyl-5-(3,5-dichlorophenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79496568) has the molecular formula C16H21Cl2N3 and a molecular weight of 326.27 g/mol. Its IUPAC name is 1-cycloheptyl-5-(3,5-dichlorophenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-5-(3,5-dichlorophenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79496568
Molecular FormulaC16H21Cl2N3
Molecular Weight326.27 g/mol
Exact Mass325.11
IUPAC Name1-cycloheptyl-5-(3,5-dichlorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cc(Cl)cc(Cl)c2)N1C1CCCCCC1
InChIInChI=1S/C16H21Cl2N3/c17-12-7-11(8-13(18)9-12)15-10-20-16(19)21(15)14-5-3-1-2-4-6-14/h7-9,14-15H,1-6,10H2,(H2,19,20)
InChIKeyJVFYBWCMNLKRML-UHFFFAOYSA-N
XLogP4.39
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cycloheptyl-5-(3,5-dichlorophenyl)-4,5-dihydroimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-5-(3,5-dichlorophenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-cycloheptyl-5-(3,5-dichlorophenyl)-4,5-dihydroimidazol-2-amine (CID 79496568) is 1-cycloheptyl-5-(3,5-dichlorophenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-cycloheptyl-5-(3,5-dichlorophenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-cycloheptyl-5-(3,5-dichlorophenyl)-4,5-dihydroimidazol-2-amine is NC1=NCC(c2cc(Cl)cc(Cl)c2)N1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-5-(3,5-dichlorophenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is JVFYBWCMNLKRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3/c17-12-7-11(8-13(18)9-12)15-10-20-16(19)21(15)14-5-3-1-2-4-6-14/h7-9,14-15H,1-6,10H2,(H2,19,20).
What are the key properties of 1-cycloheptyl-5-(3,5-dichlorophenyl)-4,5-dihydroimidazol-2-amine?
1-cycloheptyl-5-(3,5-dichlorophenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 326.27 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-5-(3,5-dichlorophenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79496568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).