1-cycloheptyl-5-(4-phenylphenyl)imidazol-2-amine

C22H25N3 — CID 50940600

IUPAC1-cycloheptyl-5-(4-phenylphenyl)imidazol-2-amine
SMILESNc1ncc(-c2ccc(-c3ccccc3)cc2)n1C1CCCCCC1
InChIInChI=1S/C22H25N3/c23-22-24-16-21(25(22)20-10-6-1-2-7-11-20)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-5,8-9,12-16,20H,1-2,6-7,10-11H2,(H2,23,24)
InChIKeyZTRFSLMQEIXZAA-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.69
Rot. Bonds3

About 1-cycloheptyl-5-(4-phenylphenyl)imidazol-2-amine

1-cycloheptyl-5-(4-phenylphenyl)imidazol-2-amine (PubChem CID 50940600) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-cycloheptyl-5-(4-phenylphenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-5-(4-phenylphenyl)imidazol-2-amine
PubChem CID50940600
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name1-cycloheptyl-5-(4-phenylphenyl)imidazol-2-amine
SMILESNc1ncc(-c2ccc(-c3ccccc3)cc2)n1C1CCCCCC1
InChIInChI=1S/C22H25N3/c23-22-24-16-21(25(22)20-10-6-1-2-7-11-20)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-5,8-9,12-16,20H,1-2,6-7,10-11H2,(H2,23,24)
InChIKeyZTRFSLMQEIXZAA-UHFFFAOYSA-N
XLogP5.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-5-(4-phenylphenyl)imidazol-2-amine?
The IUPAC name of 1-cycloheptyl-5-(4-phenylphenyl)imidazol-2-amine (CID 50940600) is 1-cycloheptyl-5-(4-phenylphenyl)imidazol-2-amine.
What is the SMILES notation for 1-cycloheptyl-5-(4-phenylphenyl)imidazol-2-amine?
The canonical SMILES for 1-cycloheptyl-5-(4-phenylphenyl)imidazol-2-amine is Nc1ncc(-c2ccc(-c3ccccc3)cc2)n1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-5-(4-phenylphenyl)imidazol-2-amine?
The InChIKey is ZTRFSLMQEIXZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c23-22-24-16-21(25(22)20-10-6-1-2-7-11-20)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-5,8-9,12-16,20H,1-2,6-7,10-11H2,(H2,23,24).
What are the key properties of 1-cycloheptyl-5-(4-phenylphenyl)imidazol-2-amine?
1-cycloheptyl-5-(4-phenylphenyl)imidazol-2-amine has a molecular weight of 331.46 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-5-(4-phenylphenyl)imidazol-2-amine is sourced from PubChem (CID 50940600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).