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

C17H24BrN3 — CID 79497674

IUPAC5-(4-bromo-3-methylphenyl)-1-cycloheptyl-4,5-dihydroimidazol-2-amine
SMILESCc1cc(C2CN=C(N)N2C2CCCCCC2)ccc1Br
InChIInChI=1S/C17H24BrN3/c1-12-10-13(8-9-15(12)18)16-11-20-17(19)21(16)14-6-4-2-3-5-7-14/h8-10,14,16H,2-7,11H2,1H3,(H2,19,20)
InChIKeyCNLFXMISYVZZRJ-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.15
Rot. Bonds2

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

5-(4-bromo-3-methylphenyl)-1-cycloheptyl-4,5-dihydroimidazol-2-amine (PubChem CID 79497674) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 5-(4-bromo-3-methylphenyl)-1-cycloheptyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(4-bromo-3-methylphenyl)-1-cycloheptyl-4,5-dihydroimidazol-2-amine
PubChem CID79497674
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC Name5-(4-bromo-3-methylphenyl)-1-cycloheptyl-4,5-dihydroimidazol-2-amine
SMILESCc1cc(C2CN=C(N)N2C2CCCCCC2)ccc1Br
InChIInChI=1S/C17H24BrN3/c1-12-10-13(8-9-15(12)18)16-11-20-17(19)21(16)14-6-4-2-3-5-7-14/h8-10,14,16H,2-7,11H2,1H3,(H2,19,20)
InChIKeyCNLFXMISYVZZRJ-UHFFFAOYSA-N
XLogP4.15
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-methylphenyl)-1-cycloheptyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(4-bromo-3-methylphenyl)-1-cycloheptyl-4,5-dihydroimidazol-2-amine (CID 79497674) is 5-(4-bromo-3-methylphenyl)-1-cycloheptyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(4-bromo-3-methylphenyl)-1-cycloheptyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(4-bromo-3-methylphenyl)-1-cycloheptyl-4,5-dihydroimidazol-2-amine is Cc1cc(C2CN=C(N)N2C2CCCCCC2)ccc1Br.
What is the InChIKey of 5-(4-bromo-3-methylphenyl)-1-cycloheptyl-4,5-dihydroimidazol-2-amine?
The InChIKey is CNLFXMISYVZZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-12-10-13(8-9-15(12)18)16-11-20-17(19)21(16)14-6-4-2-3-5-7-14/h8-10,14,16H,2-7,11H2,1H3,(H2,19,20).
What are the key properties of 5-(4-bromo-3-methylphenyl)-1-cycloheptyl-4,5-dihydroimidazol-2-amine?
5-(4-bromo-3-methylphenyl)-1-cycloheptyl-4,5-dihydroimidazol-2-amine has a molecular weight of 350.30 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-methylphenyl)-1-cycloheptyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79497674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).