3-phenyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]propanamide

C19H16N4OS — CID 10472942

IUPAC3-phenyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]propanamide
SMILESO=C(CCc1ccccc1)Nc1ccc2nc(-c3cscn3)[nH]c2c1
InChIInChI=1S/C19H16N4OS/c24-18(9-6-13-4-2-1-3-5-13)21-14-7-8-15-16(10-14)23-19(22-15)17-11-25-12-20-17/h1-5,7-8,10-12H,6,9H2,(H,21,24)(H,22,23)
InChIKeyNHYXRDCLHDUNCV-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.26
Rot. Bonds5

About 3-phenyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]propanamide

3-phenyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]propanamide (PubChem CID 10472942) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-phenyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]propanamide
PubChem CID10472942
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name3-phenyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]propanamide
SMILESO=C(CCc1ccccc1)Nc1ccc2nc(-c3cscn3)[nH]c2c1
InChIInChI=1S/C19H16N4OS/c24-18(9-6-13-4-2-1-3-5-13)21-14-7-8-15-16(10-14)23-19(22-15)17-11-25-12-20-17/h1-5,7-8,10-12H,6,9H2,(H,21,24)(H,22,23)
InChIKeyNHYXRDCLHDUNCV-UHFFFAOYSA-N
XLogP4.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]propanamide?
The IUPAC name of 3-phenyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]propanamide (CID 10472942) is 3-phenyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]propanamide.
What is the SMILES notation for 3-phenyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]propanamide?
The canonical SMILES for 3-phenyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]propanamide is O=C(CCc1ccccc1)Nc1ccc2nc(-c3cscn3)[nH]c2c1.
What is the InChIKey of 3-phenyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]propanamide?
The InChIKey is NHYXRDCLHDUNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c24-18(9-6-13-4-2-1-3-5-13)21-14-7-8-15-16(10-14)23-19(22-15)17-11-25-12-20-17/h1-5,7-8,10-12H,6,9H2,(H,21,24)(H,22,23).
What are the key properties of 3-phenyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]propanamide?
3-phenyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]propanamide has a molecular weight of 348.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]propanamide is sourced from PubChem (CID 10472942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).