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

C24H27N5 — CID 161376740

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

N-(1H-benzimidazol-2-ylmethyl)-N-[3-(1H-pyrrol-2-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 161376740) has the molecular formula C24H27N5 and a molecular weight of 385.52 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N-[3-(1H-pyrrol-2-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

• Compound Name: N-(1H-benzimidazol-2-ylmethyl)-N-[3-(1H-pyrrol-2-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine
• PubChem CID: 161376740
• Molecular Formula: C24H27N5
• Molecular Weight: 385.52 g/mol
• Exact Mass: 385.23
• IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-N-[3-(1H-pyrrol-2-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine
• SMILES: c1c[nH]c(CCCN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c1
• InChI: InChI=1S/C24H27N5/c1-2-12-21-20(11-1)27-23(28-21)17-29(16-6-10-19-9-5-14-25-19)22-13-3-7-18-8-4-15-26-24(18)22/h1-2,4-5,8-9,11-12,14-15,22,25H,3,6-7,10,13,16-17H2,(H,27,28)
• InChIKey: ZMCNUTNWETVELX-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 60.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.52
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-[3-(1H-pyrrol-2-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 161376740) is N-(1H-benzimidazol-2-ylmethyl)-N-[3-(1H-pyrrol-2-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine.

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

The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N-[3-(1H-pyrrol-2-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine is c1c[nH]c(CCCN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c1.

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

The InChIKey is ZMCNUTNWETVELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5/c1-2-12-21-20(11-1)27-23(28-21)17-29(16-6-10-19-9-5-14-25-19)22-13-3-7-18-8-4-15-26-24(18)22/h1-2,4-5,8-9,11-12,14-15,22,25H,3,6-7,10,13,16-17H2,(H,27,28).

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

N-(1H-benzimidazol-2-ylmethyl)-N-[3-(1H-pyrrol-2-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 385.52 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1H-benzimidazol-2-ylmethyl)-N-[3-(1H-pyrrol-2-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 161376740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).