N-[1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide

C23H21N5O2 — CID 18685990

About N-[1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide

N-[1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide (PubChem CID 18685990) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
• PubChem CID: 18685990
• Molecular Formula: C23H21N5O2
• Molecular Weight: 399.45 g/mol
• Exact Mass: 399.17
• IUPAC Name: N-[1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
• SMILES: Cc1ccc(CC(NC(=O)c2ccc3nc(-c4ccncc4)[nH]c3c2)C(N)=O)cc1
• InChI: InChI=1S/C23H21N5O2/c1-14-2-4-15(5-3-14)12-20(21(24)29)28-23(30)17-6-7-18-19(13-17)27-22(26-18)16-8-10-25-11-9-16/h2-11,13,20H,12H2,1H3,(H2,24,29)(H,26,27)(H,28,30)
• InChIKey: FAVQCIAICABUMN-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 113.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.45
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide?

The IUPAC name of N-[1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide (CID 18685990) is N-[1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide.

What is the SMILES notation for N-[1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide?

The canonical SMILES for N-[1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide is Cc1ccc(CC(NC(=O)c2ccc3nc(-c4ccncc4)[nH]c3c2)C(N)=O)cc1.

What is the InChIKey of N-[1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide?

The InChIKey is FAVQCIAICABUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-14-2-4-15(5-3-14)12-20(21(24)29)28-23(30)17-6-7-18-19(13-17)27-22(26-18)16-8-10-25-11-9-16/h2-11,13,20H,12H2,1H3,(H2,24,29)(H,26,27)(H,28,30).

What are the key properties of N-[1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide?

N-[1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 18685990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).