2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

C25H20N4OS — CID 50994503

IUPAC2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2nc3ccccc3n2Cc2ccccc2)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C25H20N4OS/c1-17-22(24(30)27-19-12-6-3-7-13-19)31-25(26-17)23-28-20-14-8-9-15-21(20)29(23)16-18-10-4-2-5-11-18/h2-15H,16H2,1H3,(H,27,30)
InChIKeyJVSLEIAMUMHURY-UHFFFAOYSA-N
MW424.53 g/mol
LogP5.77
Rot. Bonds5

About 2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 50994503) has the molecular formula C25H20N4OS and a molecular weight of 424.53 g/mol. Its IUPAC name is 2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID50994503
Molecular FormulaC25H20N4OS
Molecular Weight424.53 g/mol
Exact Mass424.14
IUPAC Name2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2nc3ccccc3n2Cc2ccccc2)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C25H20N4OS/c1-17-22(24(30)27-19-12-6-3-7-13-19)31-25(26-17)23-28-20-14-8-9-15-21(20)29(23)16-18-10-4-2-5-11-18/h2-15H,16H2,1H3,(H,27,30)
InChIKeyJVSLEIAMUMHURY-UHFFFAOYSA-N
XLogP5.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.53
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-phenylthiophene-2-carboxamide
CID 11341428
5-(2-amino-1,3-thiazol-4-yl)-N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]thiophene-2-carboxamide
CID 25190533
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyrrolidin-1-yl)thiophene-2-carboxamide
CID 25190536
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(piperidin-1-yl)thiophene-2-carboxamide
CID 25190537
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(piperazin-1-yl)thiophene-2-carboxamide
CID 25190538
5-(azetidin-1-ylcarbonyl)-3-methyl-6-{[2-(methylamino)-1H-1,3-benzodiazol-1-yl]methyl}-1-(2-methylpropyl)-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione
CID 16102867
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-1,3-thiazole-4-carboxamide
CID 25190512
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-1,3-thiazole-5-carboxamide
CID 25190513
2-Aminobenzimidazole with trans-stilbene, 8b
CID 25190545
2-Aminobenzimidazole with trans-stilbene, 8f
CID 25190548
2-Aminobenzimidazole with trans-stilbene, 8n
CID 25190558
2-Aminobenzimidazole with trans-stilbene, 8p
CID 25190559

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (CID 50994503) is 2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2nc3ccccc3n2Cc2ccccc2)sc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is JVSLEIAMUMHURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4OS/c1-17-22(24(30)27-19-12-6-3-7-13-19)31-25(26-17)23-28-20-14-8-9-15-21(20)29(23)16-18-10-4-2-5-11-18/h2-15H,16H2,1H3,(H,27,30).
What are the key properties of 2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 50994503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).