N-(5-benzyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide

C18H14N4OS — CID 17493268

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C18H14N4OS/c23-17(13-6-7-15-16(9-13)21-11-20-15)22-18-19-10-14(24-18)8-12-4-2-1-3-5-12/h1-7,9-11H,8H2,(H,20,21)(H,19,22,23)
InChIKeyADYBGVKBPODQSU-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.86
Rot. Bonds4

About N-(5-benzyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide

N-(5-benzyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 17493268) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide
PubChem CID17493268
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C18H14N4OS/c23-17(13-6-7-15-16(9-13)21-11-20-15)22-18-19-10-14(24-18)8-12-4-2-1-3-5-12/h1-7,9-11H,8H2,(H,20,21)(H,19,22,23)
InChIKeyADYBGVKBPODQSU-UHFFFAOYSA-N
XLogP3.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide (CID 17493268) is N-(5-benzyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide is O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is ADYBGVKBPODQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c23-17(13-6-7-15-16(9-13)21-11-20-15)22-18-19-10-14(24-18)8-12-4-2-1-3-5-12/h1-7,9-11H,8H2,(H,20,21)(H,19,22,23).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide?
N-(5-benzyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 17493268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).