N-[4-[2-[[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

C24H17F2N5O3S — CID 55934300

About N-[4-[2-[[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

N-[4-[2-[[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (PubChem CID 55934300) has the molecular formula C24H17F2N5O3S and a molecular weight of 493.50 g/mol. Its IUPAC name is N-[4-[2-[[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
• PubChem CID: 55934300
• Molecular Formula: C24H17F2N5O3S
• Molecular Weight: 493.50 g/mol
• Exact Mass: 493.10
• IUPAC Name: N-[4-[2-[[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
• SMILES: Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)cs1
• InChI: InChI=1S/C24H17F2N5O3S/c1-12-16(6-7-34-12)23(33)31-24-28-15(11-35-24)10-21(32)27-14-3-5-19-20(9-14)30-22(29-19)17-8-13(25)2-4-18(17)26/h2-9,11H,10H2,1H3,(H,27,32)(H,29,30)(H,28,31,33)
• InChIKey: YBTHPYPTOIAYLI-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 112.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.50
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?

The IUPAC name of N-[4-[2-[[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (CID 55934300) is N-[4-[2-[[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.

What is the SMILES notation for N-[4-[2-[[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?

The canonical SMILES for N-[4-[2-[[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)cs1.

What is the InChIKey of N-[4-[2-[[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?

The InChIKey is YBTHPYPTOIAYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N5O3S/c1-12-16(6-7-34-12)23(33)31-24-28-15(11-35-24)10-21(32)27-14-3-5-19-20(9-14)30-22(29-19)17-8-13(25)2-4-18(17)26/h2-9,11H,10H2,1H3,(H,27,32)(H,29,30)(H,28,31,33).

What are the key properties of N-[4-[2-[[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?

N-[4-[2-[[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide has a molecular weight of 493.50 g/mol, XLogP of 5.30, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 55934300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).