2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(oxolan-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide

C25H23N5O4S — CID 86345466

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(oxolan-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc2nc(NC(=O)c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1
InChIInChI=1S/C25H23N5O4S/c31-22(26-12-17-2-1-8-33-17)15-3-5-18-19(11-15)29-25(28-18)30-23(32)20-13-35-24(27-20)16-4-6-21-14(10-16)7-9-34-21/h3-6,10-11,13,17H,1-2,7-9,12H2,(H,26,31)(H2,28,29,30,32)
InChIKeyAFQCOUYLVQCTIO-UHFFFAOYSA-N
MW489.56 g/mol
LogP3.78
Rot. Bonds6

About 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(oxolan-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide

2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(oxolan-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 86345466) has the molecular formula C25H23N5O4S and a molecular weight of 489.56 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(oxolan-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(oxolan-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID86345466
Molecular FormulaC25H23N5O4S
Molecular Weight489.56 g/mol
Exact Mass489.15
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(oxolan-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc2nc(NC(=O)c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1
InChIInChI=1S/C25H23N5O4S/c31-22(26-12-17-2-1-8-33-17)15-3-5-18-19(11-15)29-25(28-18)30-23(32)20-13-35-24(27-20)16-4-6-21-14(10-16)7-9-34-21/h3-6,10-11,13,17H,1-2,7-9,12H2,(H,26,31)(H2,28,29,30,32)
InChIKeyAFQCOUYLVQCTIO-UHFFFAOYSA-N
XLogP3.78
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(oxolan-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(oxolan-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide (CID 86345466) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(oxolan-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(oxolan-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(oxolan-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide is O=C(NCC1CCCO1)c1ccc2nc(NC(=O)c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(oxolan-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is AFQCOUYLVQCTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4S/c31-22(26-12-17-2-1-8-33-17)15-3-5-18-19(11-15)29-25(28-18)30-23(32)20-13-35-24(27-20)16-4-6-21-14(10-16)7-9-34-21/h3-6,10-11,13,17H,1-2,7-9,12H2,(H,26,31)(H2,28,29,30,32).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(oxolan-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide?
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(oxolan-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 489.56 g/mol, XLogP of 3.78, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(oxolan-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86345466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).