2-(3-chlorophenyl)-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide

C20H17ClN4O2S — CID 55736571

IUPAC2-(3-chlorophenyl)-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc(Cl)c2)sc1C(=O)NC(C)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C20H17ClN4O2S/c1-10(12-6-7-15-16(9-12)25-20(27)24-15)22-18(26)17-11(2)23-19(28-17)13-4-3-5-14(21)8-13/h3-10H,1-2H3,(H,22,26)(H2,24,25,27)
InChIKeyKAKLRXSVHFTUJW-UHFFFAOYSA-N
MW412.90 g/mol
LogP4.43
Rot. Bonds4

About 2-(3-chlorophenyl)-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide

2-(3-chlorophenyl)-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 55736571) has the molecular formula C20H17ClN4O2S and a molecular weight of 412.90 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID55736571
Molecular FormulaC20H17ClN4O2S
Molecular Weight412.90 g/mol
Exact Mass412.08
IUPAC Name2-(3-chlorophenyl)-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc(Cl)c2)sc1C(=O)NC(C)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C20H17ClN4O2S/c1-10(12-6-7-15-16(9-12)25-20(27)24-15)22-18(26)17-11(2)23-19(28-17)13-4-3-5-14(21)8-13/h3-10H,1-2H3,(H,22,26)(H2,24,25,27)
InChIKeyKAKLRXSVHFTUJW-UHFFFAOYSA-N
XLogP4.43
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 25347911
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
2-(3-chlorophenyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55609828
[2-oxo-2-(1-phenylethylamino)ethyl] 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 55392987
5-chloro-2-iodo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 55972322
2-(3-chlorophenyl)-N-(2,6-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 60599394
4-methyl-2-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide
CID 39966458
2-(3-chlorophenyl)-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-5-carboxamide
CID 55444393
N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24673326
methyl 3-[[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-thiophen-2-ylpropanoate
CID 46515237
5-[1-(3-chloroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43201238
3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 166185338

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 55736571) is 2-(3-chlorophenyl)-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC(C)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is KAKLRXSVHFTUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2S/c1-10(12-6-7-15-16(9-12)25-20(27)24-15)22-18(26)17-11(2)23-19(28-17)13-4-3-5-14(21)8-13/h3-10H,1-2H3,(H,22,26)(H2,24,25,27).
What are the key properties of 2-(3-chlorophenyl)-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide?
2-(3-chlorophenyl)-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 412.90 g/mol, XLogP of 4.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55736571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).