[(1S,5R)-1-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone

C22H20ClN7O — CID 146291355

About [(1S,5R)-1-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone

[(1S,5R)-1-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone (PubChem CID 146291355) has the molecular formula C22H20ClN7O and a molecular weight of 433.90 g/mol. Its IUPAC name is [(1S,5R)-1-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone.

Molecular Properties

• Compound Name: [(1S,5R)-1-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
• PubChem CID: 146291355
• Molecular Formula: C22H20ClN7O
• Molecular Weight: 433.90 g/mol
• Exact Mass: 433.14
• IUPAC Name: [(1S,5R)-1-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
• SMILES: Cc1ccc(-n2nccn2)c(C(=O)N2CC[C@@H]3C[C@@]32c2nc3c(C)c(Cl)ccc3[nH]2)n1
• InChI: InChI=1S/C22H20ClN7O/c1-12-3-6-17(30-24-8-9-25-30)19(26-12)20(31)29-10-7-14-11-22(14,29)21-27-16-5-4-15(23)13(2)18(16)28-21/h3-6,8-9,14H,7,10-11H2,1-2H3,(H,27,28)/t14-,22+/m1/s1
• InChIKey: AFFWDMMXXLQOTP-PEBXRYMYSA-N
• XLogP: 3.57
• TPSA: 92.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.90
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-1-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?

The IUPAC name of [(1S,5R)-1-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone (CID 146291355) is [(1S,5R)-1-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone.

What is the SMILES notation for [(1S,5R)-1-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?

The canonical SMILES for [(1S,5R)-1-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2CC[C@@H]3C[C@@]32c2nc3c(C)c(Cl)ccc3[nH]2)n1.

What is the InChIKey of [(1S,5R)-1-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?

The InChIKey is AFFWDMMXXLQOTP-PEBXRYMYSA-N. The full InChI is InChI=1S/C22H20ClN7O/c1-12-3-6-17(30-24-8-9-25-30)19(26-12)20(31)29-10-7-14-11-22(14,29)21-27-16-5-4-15(23)13(2)18(16)28-21/h3-6,8-9,14H,7,10-11H2,1-2H3,(H,27,28)/t14-,22+/m1/s1.

What are the key properties of [(1S,5R)-1-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?

[(1S,5R)-1-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone has a molecular weight of 433.90 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,5R)-1-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 146291355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).