N-(1H-benzimidazol-2-ylmethyl)-N-[4-(1,3-oxazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-amine

C26H23N5O — CID 141182348

About N-(1H-benzimidazol-2-ylmethyl)-N-[4-(1,3-oxazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-(1H-benzimidazol-2-ylmethyl)-N-[4-(1,3-oxazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 141182348) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N-[4-(1,3-oxazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

• Compound Name: N-(1H-benzimidazol-2-ylmethyl)-N-[4-(1,3-oxazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-amine
• PubChem CID: 141182348
• Molecular Formula: C26H23N5O
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.19
• IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-N-[4-(1,3-oxazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-amine
• SMILES: c1cnc2c(c1)CCCC2N(Cc1nc2ccccc2[nH]1)c1ccc(-c2ncco2)cc1
• InChI: InChI=1S/C26H23N5O/c1-2-8-22-21(7-1)29-24(30-22)17-31(23-9-3-5-18-6-4-14-27-25(18)23)20-12-10-19(11-13-20)26-28-15-16-32-26/h1-2,4,6-8,10-16,23H,3,5,9,17H2,(H,29,30)
• InChIKey: DRZAXOMAOUIPJZ-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 70.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-[4-(1,3-oxazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-[4-(1,3-oxazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 141182348) is N-(1H-benzimidazol-2-ylmethyl)-N-[4-(1,3-oxazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-amine.

What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N-[4-(1,3-oxazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N-[4-(1,3-oxazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-amine is c1cnc2c(c1)CCCC2N(Cc1nc2ccccc2[nH]1)c1ccc(-c2ncco2)cc1.

What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N-[4-(1,3-oxazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The InChIKey is DRZAXOMAOUIPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O/c1-2-8-22-21(7-1)29-24(30-22)17-31(23-9-3-5-18-6-4-14-27-25(18)23)20-12-10-19(11-13-20)26-28-15-16-32-26/h1-2,4,6-8,10-16,23H,3,5,9,17H2,(H,29,30).

What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N-[4-(1,3-oxazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-amine?

N-(1H-benzimidazol-2-ylmethyl)-N-[4-(1,3-oxazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 421.50 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1H-benzimidazol-2-ylmethyl)-N-[4-(1,3-oxazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 141182348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).