2-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide

C22H21N7O — CID 126919987

About 2-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide

2-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 126919987) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 2-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide
• PubChem CID: 126919987
• Molecular Formula: C22H21N7O
• Molecular Weight: 399.46 g/mol
• Exact Mass: 399.18
• IUPAC Name: 2-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide
• SMILES: Cc1nc2ccc(C(=O)NCC3CN(c4ccc(-c5ccncc5)nn4)C3)cc2[nH]1
• InChI: InChI=1S/C22H21N7O/c1-14-25-19-3-2-17(10-20(19)26-14)22(30)24-11-15-12-29(13-15)21-5-4-18(27-28-21)16-6-8-23-9-7-16/h2-10,15H,11-13H2,1H3,(H,24,30)(H,25,26)
• InChIKey: RNPZLBBQWVKYHN-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 99.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.46
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide?

The IUPAC name of 2-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide (CID 126919987) is 2-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide.

What is the SMILES notation for 2-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide?

The canonical SMILES for 2-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide is Cc1nc2ccc(C(=O)NCC3CN(c4ccc(-c5ccncc5)nn4)C3)cc2[nH]1.

What is the InChIKey of 2-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide?

The InChIKey is RNPZLBBQWVKYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-14-25-19-3-2-17(10-20(19)26-14)22(30)24-11-15-12-29(13-15)21-5-4-18(27-28-21)16-6-8-23-9-7-16/h2-10,15H,11-13H2,1H3,(H,24,30)(H,25,26).

What are the key properties of 2-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide?

2-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 399.46 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 126919987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).