N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide

C28H30N4O2S — CID 16973861

About N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide

N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 16973861) has the molecular formula C28H30N4O2S and a molecular weight of 486.64 g/mol. Its IUPAC name is N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 16973861
• Molecular Formula: C28H30N4O2S
• Molecular Weight: 486.64 g/mol
• Exact Mass: 486.21
• IUPAC Name: N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
• SMILES: O=C(NCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C1CCCCC1)c1cccs1
• InChI: InChI=1S/C28H30N4O2S/c33-27(31(22-12-5-2-6-13-22)19-21-10-3-1-4-11-21)20-32-24-15-8-7-14-23(24)30-26(32)18-29-28(34)25-16-9-17-35-25/h1,3-4,7-11,14-17,22H,2,5-6,12-13,18-20H2,(H,29,34)
• InChIKey: UQHWHLPZBFNXPI-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.64
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide?

The IUPAC name of N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide (CID 16973861) is N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide?

The canonical SMILES for N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide is O=C(NCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C1CCCCC1)c1cccs1.

What is the InChIKey of N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide?

The InChIKey is UQHWHLPZBFNXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2S/c33-27(31(22-12-5-2-6-13-22)19-21-10-3-1-4-11-21)20-32-24-15-8-7-14-23(24)30-26(32)18-29-28(34)25-16-9-17-35-25/h1,3-4,7-11,14-17,22H,2,5-6,12-13,18-20H2,(H,29,34).

What are the key properties of N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide?

N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 486.64 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 16973861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).