2-[2-(5,5-diphenylpentyl)-1H-imidazol-5-yl]ethanamine

C22H27N3 — CID 10246247

IUPAC2-[2-(5,5-diphenylpentyl)-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(CCCCC(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C22H27N3/c23-16-15-20-17-24-22(25-20)14-8-7-13-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,17,21H,7-8,13-16,23H2,(H,24,25)
InChIKeyCKMBGNSZMPWQNH-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.46
Rot. Bonds9

About 2-[2-(5,5-diphenylpentyl)-1H-imidazol-5-yl]ethanamine

2-[2-(5,5-diphenylpentyl)-1H-imidazol-5-yl]ethanamine (PubChem CID 10246247) has the molecular formula C22H27N3 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[2-(5,5-diphenylpentyl)-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(5,5-diphenylpentyl)-1H-imidazol-5-yl]ethanamine
PubChem CID10246247
Molecular FormulaC22H27N3
Molecular Weight333.48 g/mol
Exact Mass333.22
IUPAC Name2-[2-(5,5-diphenylpentyl)-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(CCCCC(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C22H27N3/c23-16-15-20-17-24-22(25-20)14-8-7-13-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,17,21H,7-8,13-16,23H2,(H,24,25)
InChIKeyCKMBGNSZMPWQNH-UHFFFAOYSA-N
XLogP4.46
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.46
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 2-[2-(5,5-diphenylpentyl)-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(5,5-diphenylpentyl)-1H-imidazol-5-yl]ethanamine (CID 10246247) is 2-[2-(5,5-diphenylpentyl)-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(5,5-diphenylpentyl)-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(5,5-diphenylpentyl)-1H-imidazol-5-yl]ethanamine is NCCc1cnc(CCCCC(c2ccccc2)c2ccccc2)[nH]1.
What is the InChIKey of 2-[2-(5,5-diphenylpentyl)-1H-imidazol-5-yl]ethanamine?
The InChIKey is CKMBGNSZMPWQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3/c23-16-15-20-17-24-22(25-20)14-8-7-13-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,17,21H,7-8,13-16,23H2,(H,24,25).
What are the key properties of 2-[2-(5,5-diphenylpentyl)-1H-imidazol-5-yl]ethanamine?
2-[2-(5,5-diphenylpentyl)-1H-imidazol-5-yl]ethanamine has a molecular weight of 333.48 g/mol, XLogP of 4.46, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,5-diphenylpentyl)-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 10246247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).