N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]propan-1-amine

C23H24FN5 — CID 46962079

About N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]propan-1-amine

N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]propan-1-amine (PubChem CID 46962079) has the molecular formula C23H24FN5 and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]propan-1-amine.

Molecular Properties

• Compound Name: N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]propan-1-amine
• PubChem CID: 46962079
• Molecular Formula: C23H24FN5
• Molecular Weight: 389.48 g/mol
• Exact Mass: 389.20
• IUPAC Name: N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]propan-1-amine
• SMILES: Fc1ccccc1CN(CCCn1ccnc1)Cc1cccn1-c1cccnc1
• InChI: InChI=1S/C23H24FN5/c24-23-9-2-1-6-20(23)17-28(13-5-12-27-15-11-26-19-27)18-22-8-4-14-29(22)21-7-3-10-25-16-21/h1-4,6-11,14-16,19H,5,12-13,17-18H2
• InChIKey: JDZOUYFFRXQCOZ-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 38.88 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.48
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]propan-1-amine?

The IUPAC name of N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]propan-1-amine (CID 46962079) is N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]propan-1-amine.

What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]propan-1-amine?

The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]propan-1-amine is Fc1ccccc1CN(CCCn1ccnc1)Cc1cccn1-c1cccnc1.

What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]propan-1-amine?

The InChIKey is JDZOUYFFRXQCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5/c24-23-9-2-1-6-20(23)17-28(13-5-12-27-15-11-26-19-27)18-22-8-4-14-29(22)21-7-3-10-25-16-21/h1-4,6-11,14-16,19H,5,12-13,17-18H2.

What are the key properties of N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]propan-1-amine?

N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]propan-1-amine has a molecular weight of 389.48 g/mol, XLogP of 4.30, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 46962079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).