HYADPBAFAIELQN-UHFFFAOYSA-N

C₂₃H₃₁N₅ — CID 45484547

About HYADPBAFAIELQN-UHFFFAOYSA-N

HYADPBAFAIELQN-UHFFFAOYSA-N (PubChem CID 45484547) has the molecular formula C₂₃H₃₁N₅ and a molecular weight of 377.54 g/mol. Its IUPAC name is N-[[1-(5-aminopentyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

• Compound Name: HYADPBAFAIELQN-UHFFFAOYSA-N
• PubChem CID: 45484547
• Molecular Formula: C₂₃H₃₁N₅
• Molecular Weight: 377.54 g/mol
• Exact Mass: 377.26
• IUPAC Name: N-[[1-(5-aminopentyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
• SMILES: CN(Cc1nc2ccccc2n1CCCCCN)C1CCCc2cccnc21
• InChI: InChI=1S/C23H31N5/c1-27(21-13-7-9-18-10-8-15-25-23(18)21)17-22-26-19-11-3-4-12-20(19)28(22)16-6-2-5-14-24/h3-4,8,10-12,15,21H,2,5-7,9,13-14,16-17,24H2,1H3
• InChIKey: HYADPBAFAIELQN-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 59.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.54
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of HYADPBAFAIELQN-UHFFFAOYSA-N?

The IUPAC name of HYADPBAFAIELQN-UHFFFAOYSA-N (CID 45484547) is N-[[1-(5-aminopentyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.

What is the SMILES notation for HYADPBAFAIELQN-UHFFFAOYSA-N?

The canonical SMILES for HYADPBAFAIELQN-UHFFFAOYSA-N is CN(Cc1nc2ccccc2n1CCCCCN)C1CCCc2cccnc21.

What is the InChIKey of HYADPBAFAIELQN-UHFFFAOYSA-N?

The InChIKey is HYADPBAFAIELQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5/c1-27(21-13-7-9-18-10-8-15-25-23(18)21)17-22-26-19-11-3-4-12-20(19)28(22)16-6-2-5-14-24/h3-4,8,10-12,15,21H,2,5-7,9,13-14,16-17,24H2,1H3.

What are the key properties of HYADPBAFAIELQN-UHFFFAOYSA-N?

HYADPBAFAIELQN-UHFFFAOYSA-N has a molecular weight of 377.54 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for HYADPBAFAIELQN-UHFFFAOYSA-N is sourced from PubChem (CID 45484547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 45484547 — identifiers, structure, computed properties (public domain)

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