1-phenyl-2-(5-phenyl-1H-imidazol-2-yl)heptan-2-amine

C22H27N3 — CID 154277388

IUPAC1-phenyl-2-(5-phenyl-1H-imidazol-2-yl)heptan-2-amine
SMILESCCCCCC(N)(Cc1ccccc1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C22H27N3/c1-2-3-10-15-22(23,16-18-11-6-4-7-12-18)21-24-17-20(25-21)19-13-8-5-9-14-19/h4-9,11-14,17H,2-3,10,15-16,23H2,1H3,(H,24,25)
InChIKeyHAQWHAFPQPRCFK-UHFFFAOYSA-N
MW333.48 g/mol
LogP5.05
Rot. Bonds8

About 1-phenyl-2-(5-phenyl-1H-imidazol-2-yl)heptan-2-amine

1-phenyl-2-(5-phenyl-1H-imidazol-2-yl)heptan-2-amine (PubChem CID 154277388) has the molecular formula C22H27N3 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-phenyl-2-(5-phenyl-1H-imidazol-2-yl)heptan-2-amine.

Molecular Properties

Compound Name1-phenyl-2-(5-phenyl-1H-imidazol-2-yl)heptan-2-amine
PubChem CID154277388
Molecular FormulaC22H27N3
Molecular Weight333.48 g/mol
Exact Mass333.22
IUPAC Name1-phenyl-2-(5-phenyl-1H-imidazol-2-yl)heptan-2-amine
SMILESCCCCCC(N)(Cc1ccccc1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C22H27N3/c1-2-3-10-15-22(23,16-18-11-6-4-7-12-18)21-24-17-20(25-21)19-13-8-5-9-14-19/h4-9,11-14,17H,2-3,10,15-16,23H2,1H3,(H,24,25)
InChIKeyHAQWHAFPQPRCFK-UHFFFAOYSA-N
XLogP5.05
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(5-phenyl-1H-imidazol-2-yl)heptan-2-amine?
The IUPAC name of 1-phenyl-2-(5-phenyl-1H-imidazol-2-yl)heptan-2-amine (CID 154277388) is 1-phenyl-2-(5-phenyl-1H-imidazol-2-yl)heptan-2-amine.
What is the SMILES notation for 1-phenyl-2-(5-phenyl-1H-imidazol-2-yl)heptan-2-amine?
The canonical SMILES for 1-phenyl-2-(5-phenyl-1H-imidazol-2-yl)heptan-2-amine is CCCCCC(N)(Cc1ccccc1)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 1-phenyl-2-(5-phenyl-1H-imidazol-2-yl)heptan-2-amine?
The InChIKey is HAQWHAFPQPRCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3/c1-2-3-10-15-22(23,16-18-11-6-4-7-12-18)21-24-17-20(25-21)19-13-8-5-9-14-19/h4-9,11-14,17H,2-3,10,15-16,23H2,1H3,(H,24,25).
What are the key properties of 1-phenyl-2-(5-phenyl-1H-imidazol-2-yl)heptan-2-amine?
1-phenyl-2-(5-phenyl-1H-imidazol-2-yl)heptan-2-amine has a molecular weight of 333.48 g/mol, XLogP of 5.05, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(5-phenyl-1H-imidazol-2-yl)heptan-2-amine is sourced from PubChem (CID 154277388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).