5-(3-chlorophenyl)-1-cycloheptyl-5-methyl-4H-imidazol-2-amine

C17H24ClN3 — CID 79498841

IUPAC5-(3-chlorophenyl)-1-cycloheptyl-5-methyl-4H-imidazol-2-amine
SMILESCC1(c2cccc(Cl)c2)CN=C(N)N1C1CCCCCC1
InChIInChI=1S/C17H24ClN3/c1-17(13-7-6-8-14(18)11-13)12-20-16(19)21(17)15-9-4-2-3-5-10-15/h6-8,11,15H,2-5,9-10,12H2,1H3,(H2,19,20)
InChIKeyIQKBYDJUHBNMOY-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.91
Rot. Bonds2

About 5-(3-chlorophenyl)-1-cycloheptyl-5-methyl-4H-imidazol-2-amine

5-(3-chlorophenyl)-1-cycloheptyl-5-methyl-4H-imidazol-2-amine (PubChem CID 79498841) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-1-cycloheptyl-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-1-cycloheptyl-5-methyl-4H-imidazol-2-amine
PubChem CID79498841
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name5-(3-chlorophenyl)-1-cycloheptyl-5-methyl-4H-imidazol-2-amine
SMILESCC1(c2cccc(Cl)c2)CN=C(N)N1C1CCCCCC1
InChIInChI=1S/C17H24ClN3/c1-17(13-7-6-8-14(18)11-13)12-20-16(19)21(17)15-9-4-2-3-5-10-15/h6-8,11,15H,2-5,9-10,12H2,1H3,(H2,19,20)
InChIKeyIQKBYDJUHBNMOY-UHFFFAOYSA-N
XLogP3.91
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-1-cycloheptyl-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-(3-chlorophenyl)-1-cycloheptyl-5-methyl-4H-imidazol-2-amine (CID 79498841) is 5-(3-chlorophenyl)-1-cycloheptyl-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-1-cycloheptyl-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(3-chlorophenyl)-1-cycloheptyl-5-methyl-4H-imidazol-2-amine is CC1(c2cccc(Cl)c2)CN=C(N)N1C1CCCCCC1.
What is the InChIKey of 5-(3-chlorophenyl)-1-cycloheptyl-5-methyl-4H-imidazol-2-amine?
The InChIKey is IQKBYDJUHBNMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-17(13-7-6-8-14(18)11-13)12-20-16(19)21(17)15-9-4-2-3-5-10-15/h6-8,11,15H,2-5,9-10,12H2,1H3,(H2,19,20).
What are the key properties of 5-(3-chlorophenyl)-1-cycloheptyl-5-methyl-4H-imidazol-2-amine?
5-(3-chlorophenyl)-1-cycloheptyl-5-methyl-4H-imidazol-2-amine has a molecular weight of 305.85 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-1-cycloheptyl-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79498841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).