N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide

C24H23N5O3S — CID 11568839

About N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 11568839) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
• PubChem CID: 11568839
• Molecular Formula: C24H23N5O3S
• Molecular Weight: 461.55 g/mol
• Exact Mass: 461.15
• IUPAC Name: N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
• SMILES: O=C(Nc1scnc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc2c(c1)CCO2
• InChI: InChI=1S/C24H23N5O3S/c30-23(17-2-4-20-16(12-17)5-8-32-20)28-24-21(25-14-33-24)22-26-18-3-1-15(11-19(18)27-22)13-29-6-9-31-10-7-29/h1-4,11-12,14H,5-10,13H2,(H,26,27)(H,28,30)
• InChIKey: OICRXGWDCJOVOB-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 92.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.55
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide?

The IUPAC name of N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 11568839) is N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide.

What is the SMILES notation for N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide?

The canonical SMILES for N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(Nc1scnc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc2c(c1)CCO2.

What is the InChIKey of N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide?

The InChIKey is OICRXGWDCJOVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c30-23(17-2-4-20-16(12-17)5-8-32-20)28-24-21(25-14-33-24)22-26-18-3-1-15(11-19(18)27-22)13-29-6-9-31-10-7-29/h1-4,11-12,14H,5-10,13H2,(H,26,27)(H,28,30).

What are the key properties of N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide?

N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 461.55 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 11568839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).