1-(1H-imidazol-5-ylmethyl)-N,N-diphenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

C26H25N5O — CID 10645959

About 1-(1H-imidazol-5-ylmethyl)-N,N-diphenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

1-(1H-imidazol-5-ylmethyl)-N,N-diphenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide (PubChem CID 10645959) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylmethyl)-N,N-diphenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(1H-imidazol-5-ylmethyl)-N,N-diphenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
• PubChem CID: 10645959
• Molecular Formula: C26H25N5O
• Molecular Weight: 423.52 g/mol
• Exact Mass: 423.21
• IUPAC Name: 1-(1H-imidazol-5-ylmethyl)-N,N-diphenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
• SMILES: O=C(N1CCN(Cc2cnc[nH]2)c2ccccc2C1)N(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C26H25N5O/c32-26(31(23-10-3-1-4-11-23)24-12-5-2-6-13-24)30-16-15-29(19-22-17-27-20-28-22)25-14-8-7-9-21(25)18-30/h1-14,17,20H,15-16,18-19H2,(H,27,28)
• InChIKey: GVHBBIAOKIIRAI-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 55.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.52
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylmethyl)-N,N-diphenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide?

The IUPAC name of 1-(1H-imidazol-5-ylmethyl)-N,N-diphenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide (CID 10645959) is 1-(1H-imidazol-5-ylmethyl)-N,N-diphenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide.

What is the SMILES notation for 1-(1H-imidazol-5-ylmethyl)-N,N-diphenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide?

The canonical SMILES for 1-(1H-imidazol-5-ylmethyl)-N,N-diphenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide is O=C(N1CCN(Cc2cnc[nH]2)c2ccccc2C1)N(c1ccccc1)c1ccccc1.

What is the InChIKey of 1-(1H-imidazol-5-ylmethyl)-N,N-diphenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide?

The InChIKey is GVHBBIAOKIIRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c32-26(31(23-10-3-1-4-11-23)24-12-5-2-6-13-24)30-16-15-29(19-22-17-27-20-28-22)25-14-8-7-9-21(25)18-30/h1-14,17,20H,15-16,18-19H2,(H,27,28).

What are the key properties of 1-(1H-imidazol-5-ylmethyl)-N,N-diphenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide?

1-(1H-imidazol-5-ylmethyl)-N,N-diphenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1H-imidazol-5-ylmethyl)-N,N-diphenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide is sourced from PubChem (CID 10645959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).