5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile

C20H16FN7O — CID 139371908

About 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 139371908) has the molecular formula C20H16FN7O and a molecular weight of 389.39 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile
• PubChem CID: 139371908
• Molecular Formula: C20H16FN7O
• Molecular Weight: 389.39 g/mol
• Exact Mass: 389.14
• IUPAC Name: 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile
• SMILES: Cc1cn(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
• InChI: InChI=1S/C20H16FN7O/c1-12-9-27(11-25-12)17-8-24-20(28-10-13(6-22)26-19(17)28)23-7-15-14-4-5-29-18(14)3-2-16(15)21/h2-3,8-11H,4-5,7H2,1H3,(H,23,24)
• InChIKey: QRYIPSSFSKCWDG-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 93.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.39
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile?

The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 139371908) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile.

What is the SMILES notation for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile?

The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile is Cc1cn(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1.

What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile?

The InChIKey is QRYIPSSFSKCWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN7O/c1-12-9-27(11-25-12)17-8-24-20(28-10-13(6-22)26-19(17)28)23-7-15-14-4-5-29-18(14)3-2-16(15)21/h2-3,8-11H,4-5,7H2,1H3,(H,23,24).

What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile?

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 389.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 139371908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).