(2-methyl-3H-benzimidazol-5-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C21H19N5O — CID 165418782

About (2-methyl-3H-benzimidazol-5-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

(2-methyl-3H-benzimidazol-5-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 165418782) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is (2-methyl-3H-benzimidazol-5-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

• Compound Name: (2-methyl-3H-benzimidazol-5-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
• PubChem CID: 165418782
• Molecular Formula: C21H19N5O
• Molecular Weight: 357.42 g/mol
• Exact Mass: 357.16
• IUPAC Name: (2-methyl-3H-benzimidazol-5-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
• SMILES: Cc1nc2ccc(C(=O)N3Cc4[nH]cnc4C(c4ccccc4)C3)cc2[nH]1
• InChI: InChI=1S/C21H19N5O/c1-13-24-17-8-7-15(9-18(17)25-13)21(27)26-10-16(14-5-3-2-4-6-14)20-19(11-26)22-12-23-20/h2-9,12,16H,10-11H2,1H3,(H,22,23)(H,24,25)
• InChIKey: DOZSJJGMUIXLOB-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 77.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.42
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3H-benzimidazol-5-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?

The IUPAC name of (2-methyl-3H-benzimidazol-5-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 165418782) is (2-methyl-3H-benzimidazol-5-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

What is the SMILES notation for (2-methyl-3H-benzimidazol-5-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?

The canonical SMILES for (2-methyl-3H-benzimidazol-5-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is Cc1nc2ccc(C(=O)N3Cc4[nH]cnc4C(c4ccccc4)C3)cc2[nH]1.

What is the InChIKey of (2-methyl-3H-benzimidazol-5-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?

The InChIKey is DOZSJJGMUIXLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-13-24-17-8-7-15(9-18(17)25-13)21(27)26-10-16(14-5-3-2-4-6-14)20-19(11-26)22-12-23-20/h2-9,12,16H,10-11H2,1H3,(H,22,23)(H,24,25).

What are the key properties of (2-methyl-3H-benzimidazol-5-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?

(2-methyl-3H-benzimidazol-5-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 357.42 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methyl-3H-benzimidazol-5-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 165418782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).