N-(2,3-dihydro-1-benzofuran-6-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propanamide

C21H18N4O2S — CID 57391310

IUPACN-(2,3-dihydro-1-benzofuran-6-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc2c(c1)OCC2)n1c(-c2cscn2)nc2ccccc21
InChIInChI=1S/C21H18N4O2S/c1-13(21(26)23-15-7-6-14-8-9-27-19(14)10-15)25-18-5-3-2-4-16(18)24-20(25)17-11-28-12-22-17/h2-7,10-13H,8-9H2,1H3,(H,23,26)
InChIKeyWTYJTTONBVBGNX-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.29
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-6-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propanamide

N-(2,3-dihydro-1-benzofuran-6-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propanamide (PubChem CID 57391310) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-6-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-6-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propanamide
PubChem CID57391310
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-(2,3-dihydro-1-benzofuran-6-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc2c(c1)OCC2)n1c(-c2cscn2)nc2ccccc21
InChIInChI=1S/C21H18N4O2S/c1-13(21(26)23-15-7-6-14-8-9-27-19(14)10-15)25-18-5-3-2-4-16(18)24-20(25)17-11-28-12-22-17/h2-7,10-13H,8-9H2,1H3,(H,23,26)
InChIKeyWTYJTTONBVBGNX-UHFFFAOYSA-N
XLogP4.29
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-6-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propanamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-6-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propanamide (CID 57391310) is N-(2,3-dihydro-1-benzofuran-6-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-6-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propanamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-6-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propanamide is CC(C(=O)Nc1ccc2c(c1)OCC2)n1c(-c2cscn2)nc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-6-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propanamide?
The InChIKey is WTYJTTONBVBGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-13(21(26)23-15-7-6-14-8-9-27-19(14)10-15)25-18-5-3-2-4-16(18)24-20(25)17-11-28-12-22-17/h2-7,10-13H,8-9H2,1H3,(H,23,26).
What are the key properties of N-(2,3-dihydro-1-benzofuran-6-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propanamide?
N-(2,3-dihydro-1-benzofuran-6-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propanamide has a molecular weight of 390.47 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-6-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propanamide is sourced from PubChem (CID 57391310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).