1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-N-[[4-(thiadiazol-4-yl)phenyl]methyl]methanamine

C29H23N5S — CID 44524187

About 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-N-[[4-(thiadiazol-4-yl)phenyl]methyl]methanamine

1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-N-[[4-(thiadiazol-4-yl)phenyl]methyl]methanamine (PubChem CID 44524187) has the molecular formula C29H23N5S and a molecular weight of 473.61 g/mol. Its IUPAC name is 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-N-[[4-(thiadiazol-4-yl)phenyl]methyl]methanamine.

Molecular Properties

• Compound Name: 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-N-[[4-(thiadiazol-4-yl)phenyl]methyl]methanamine
• PubChem CID: 44524187
• Molecular Formula: C29H23N5S
• Molecular Weight: 473.61 g/mol
• Exact Mass: 473.17
• IUPAC Name: 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-N-[[4-(thiadiazol-4-yl)phenyl]methyl]methanamine
• SMILES: c1cc(-c2ccc(CNCc3ccc(-c4csnn4)cc3)cc2)cc(-c2nc3ccccc3[nH]2)c1
• InChI: InChI=1S/C29H23N5S/c1-2-7-27-26(6-1)31-29(32-27)25-5-3-4-24(16-25)22-12-8-20(9-13-22)17-30-18-21-10-14-23(15-11-21)28-19-35-34-33-28/h1-16,19,30H,17-18H2,(H,31,32)
• InChIKey: LLSLEHAYWKAHAZ-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 66.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.61
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-N-[[4-(thiadiazol-4-yl)phenyl]methyl]methanamine?

The IUPAC name of 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-N-[[4-(thiadiazol-4-yl)phenyl]methyl]methanamine (CID 44524187) is 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-N-[[4-(thiadiazol-4-yl)phenyl]methyl]methanamine.

What is the SMILES notation for 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-N-[[4-(thiadiazol-4-yl)phenyl]methyl]methanamine?

The canonical SMILES for 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-N-[[4-(thiadiazol-4-yl)phenyl]methyl]methanamine is c1cc(-c2ccc(CNCc3ccc(-c4csnn4)cc3)cc2)cc(-c2nc3ccccc3[nH]2)c1.

What is the InChIKey of 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-N-[[4-(thiadiazol-4-yl)phenyl]methyl]methanamine?

The InChIKey is LLSLEHAYWKAHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N5S/c1-2-7-27-26(6-1)31-29(32-27)25-5-3-4-24(16-25)22-12-8-20(9-13-22)17-30-18-21-10-14-23(15-11-21)28-19-35-34-33-28/h1-16,19,30H,17-18H2,(H,31,32).

What are the key properties of 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-N-[[4-(thiadiazol-4-yl)phenyl]methyl]methanamine?

1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-N-[[4-(thiadiazol-4-yl)phenyl]methyl]methanamine has a molecular weight of 473.61 g/mol, XLogP of 6.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-N-[[4-(thiadiazol-4-yl)phenyl]methyl]methanamine is sourced from PubChem (CID 44524187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).