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

C24H17N5O3S — CID 121333734

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc2ccc(C(=O)c3ccc[nH]3)cc2[nH]1)c1csc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C24H17N5O3S/c30-21(17-2-1-8-25-17)14-3-5-16-18(11-14)28-24(27-16)29-22(31)19-12-33-23(26-19)15-4-6-20-13(10-15)7-9-32-20/h1-6,8,10-12,25H,7,9H2,(H2,27,28,29,31)
InChIKeyPJLGDYANJDDICL-UHFFFAOYSA-N
MW455.50 g/mol
LogP4.43
Rot. Bonds5

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

2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 121333734) has the molecular formula C24H17N5O3S and a molecular weight of 455.50 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID121333734
Molecular FormulaC24H17N5O3S
Molecular Weight455.50 g/mol
Exact Mass455.11
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc2ccc(C(=O)c3ccc[nH]3)cc2[nH]1)c1csc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C24H17N5O3S/c30-21(17-2-1-8-25-17)14-3-5-16-18(11-14)28-24(27-16)29-22(31)19-12-33-23(26-19)15-4-6-20-13(10-15)7-9-32-20/h1-6,8,10-12,25H,7,9H2,(H2,27,28,29,31)
InChIKeyPJLGDYANJDDICL-UHFFFAOYSA-N
XLogP4.43
TPSA112.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.50
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide (CID 121333734) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(1H-pyrrole-2-carbonyl)-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-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1nc2ccc(C(=O)c3ccc[nH]3)cc2[nH]1)c1csc(-c2ccc3c(c2)CCO3)n1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is PJLGDYANJDDICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O3S/c30-21(17-2-1-8-25-17)14-3-5-16-18(11-14)28-24(27-16)29-22(31)19-12-33-23(26-19)15-4-6-20-13(10-15)7-9-32-20/h1-6,8,10-12,25H,7,9H2,(H2,27,28,29,31).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide?
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 455.50 g/mol, XLogP of 4.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 121333734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).