N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine

C19H25N5 — CID 97019097

About N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine

N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine (PubChem CID 97019097) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine.

Molecular Properties

• Compound Name: N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
• PubChem CID: 97019097
• Molecular Formula: C19H25N5
• Molecular Weight: 323.44 g/mol
• Exact Mass: 323.21
• IUPAC Name: N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
• SMILES: CC(C)n1c(CNC[C@H]2CCCn3ccnc32)nc2ccccc21
• InChI: InChI=1S/C19H25N5/c1-14(2)24-17-8-4-3-7-16(17)22-18(24)13-20-12-15-6-5-10-23-11-9-21-19(15)23/h3-4,7-9,11,14-15,20H,5-6,10,12-13H2,1-2H3/t15-/m1/s1
• InChIKey: BRDOJHIUYFMVEI-OAHLLOKOSA-N
• XLogP: 3.48
• TPSA: 47.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.44
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine?

The IUPAC name of N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine (CID 97019097) is N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine.

What is the SMILES notation for N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine?

The canonical SMILES for N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine is CC(C)n1c(CNC[C@H]2CCCn3ccnc32)nc2ccccc21.

What is the InChIKey of N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine?

The InChIKey is BRDOJHIUYFMVEI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N5/c1-14(2)24-17-8-4-3-7-16(17)22-18(24)13-20-12-15-6-5-10-23-11-9-21-19(15)23/h3-4,7-9,11,14-15,20H,5-6,10,12-13H2,1-2H3/t15-/m1/s1.

What are the key properties of N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine?

N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine has a molecular weight of 323.44 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine is sourced from PubChem (CID 97019097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).