7-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C18H20FN5 — CID 56781693

About 7-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

7-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 56781693) has the molecular formula C18H20FN5 and a molecular weight of 325.39 g/mol. Its IUPAC name is 7-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

• Compound Name: 7-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• PubChem CID: 56781693
• Molecular Formula: C18H20FN5
• Molecular Weight: 325.39 g/mol
• Exact Mass: 325.17
• IUPAC Name: 7-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• SMILES: CC(C)c1ncc2c(n1)CN(Cc1nc3c(F)cccc3[nH]1)CC2
• InChI: InChI=1S/C18H20FN5/c1-11(2)18-20-8-12-6-7-24(9-15(12)22-18)10-16-21-14-5-3-4-13(19)17(14)23-16/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,21,23)
• InChIKey: VJZBZJAPSCULTK-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.39
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The IUPAC name of 7-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 56781693) is 7-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

What is the SMILES notation for 7-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The canonical SMILES for 7-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CC(C)c1ncc2c(n1)CN(Cc1nc3c(F)cccc3[nH]1)CC2.

What is the InChIKey of 7-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The InChIKey is VJZBZJAPSCULTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5/c1-11(2)18-20-8-12-6-7-24(9-15(12)22-18)10-16-21-14-5-3-4-13(19)17(14)23-16/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,21,23).

What are the key properties of 7-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

7-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 325.39 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 56781693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).