2-(3-acetylphenyl)-N-(1H-benzimidazol-2-ylmethyl)-1,3-thiazole-5-carboxamide

C20H16N4O2S — CID 117088116

IUPAC2-(3-acetylphenyl)-N-(1H-benzimidazol-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1cccc(-c2ncc(C(=O)NCc3nc4ccccc4[nH]3)s2)c1
InChIInChI=1S/C20H16N4O2S/c1-12(25)13-5-4-6-14(9-13)20-22-10-17(27-20)19(26)21-11-18-23-15-7-2-3-8-16(15)24-18/h2-10H,11H2,1H3,(H,21,26)(H,23,24)
InChIKeyOCQXKFHKYYMVIH-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.82
Rot. Bonds5

About 2-(3-acetylphenyl)-N-(1H-benzimidazol-2-ylmethyl)-1,3-thiazole-5-carboxamide

2-(3-acetylphenyl)-N-(1H-benzimidazol-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 117088116) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-(3-acetylphenyl)-N-(1H-benzimidazol-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-acetylphenyl)-N-(1H-benzimidazol-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID117088116
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name2-(3-acetylphenyl)-N-(1H-benzimidazol-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1cccc(-c2ncc(C(=O)NCc3nc4ccccc4[nH]3)s2)c1
InChIInChI=1S/C20H16N4O2S/c1-12(25)13-5-4-6-14(9-13)20-22-10-17(27-20)19(26)21-11-18-23-15-7-2-3-8-16(15)24-18/h2-10H,11H2,1H3,(H,21,26)(H,23,24)
InChIKeyOCQXKFHKYYMVIH-UHFFFAOYSA-N
XLogP3.82
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide
CID 51205056
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CID 21008774
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
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N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 21008804
N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide
CID 751095
N-(1H-benzimidazol-2-ylmethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 117093184
N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
CID 103908650
N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 18105109
2-[[5-(1H-benzimidazol-2-ylmethylcarbamoyl)thiophene-2-carbonyl]amino]propanoic acid
CID 154427814
N-(1H-benzimidazol-2-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 117082718
N-(1H-benzimidazol-2-ylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazole-5-carboxamide
CID 117088378
N-(1H-benzimidazol-2-ylmethyl)-2,5-dichloropyridine-4-carboxamide
CID 105055625

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenyl)-N-(1H-benzimidazol-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3-acetylphenyl)-N-(1H-benzimidazol-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 117088116) is 2-(3-acetylphenyl)-N-(1H-benzimidazol-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-acetylphenyl)-N-(1H-benzimidazol-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3-acetylphenyl)-N-(1H-benzimidazol-2-ylmethyl)-1,3-thiazole-5-carboxamide is CC(=O)c1cccc(-c2ncc(C(=O)NCc3nc4ccccc4[nH]3)s2)c1.
What is the InChIKey of 2-(3-acetylphenyl)-N-(1H-benzimidazol-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is OCQXKFHKYYMVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-12(25)13-5-4-6-14(9-13)20-22-10-17(27-20)19(26)21-11-18-23-15-7-2-3-8-16(15)24-18/h2-10H,11H2,1H3,(H,21,26)(H,23,24).
What are the key properties of 2-(3-acetylphenyl)-N-(1H-benzimidazol-2-ylmethyl)-1,3-thiazole-5-carboxamide?
2-(3-acetylphenyl)-N-(1H-benzimidazol-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenyl)-N-(1H-benzimidazol-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117088116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).