2-(2,3-dimethoxyphenyl)-N-(1-propylbenzimidazol-2-yl)-1,3-thiazole-4-carboxamide

C22H22N4O3S — CID 36717326

IUPAC2-(2,3-dimethoxyphenyl)-N-(1-propylbenzimidazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCCCn1c(NC(=O)c2csc(-c3cccc(OC)c3OC)n2)nc2ccccc21
InChIInChI=1S/C22H22N4O3S/c1-4-12-26-17-10-6-5-9-15(17)24-22(26)25-20(27)16-13-30-21(23-16)14-8-7-11-18(28-2)19(14)29-3/h5-11,13H,4,12H2,1-3H3,(H,24,25,27)
InChIKeyHJHAINLMQBUDME-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.84
Rot. Bonds7

About 2-(2,3-dimethoxyphenyl)-N-(1-propylbenzimidazol-2-yl)-1,3-thiazole-4-carboxamide

2-(2,3-dimethoxyphenyl)-N-(1-propylbenzimidazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 36717326) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-N-(1-propylbenzimidazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-N-(1-propylbenzimidazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID36717326
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC Name2-(2,3-dimethoxyphenyl)-N-(1-propylbenzimidazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCCCn1c(NC(=O)c2csc(-c3cccc(OC)c3OC)n2)nc2ccccc21
InChIInChI=1S/C22H22N4O3S/c1-4-12-26-17-10-6-5-9-15(17)24-22(26)25-20(27)16-13-30-21(23-16)14-8-7-11-18(28-2)19(14)29-3/h5-11,13H,4,12H2,1-3H3,(H,24,25,27)
InChIKeyHJHAINLMQBUDME-UHFFFAOYSA-N
XLogP4.84
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methoxyphenyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
CID 167793542
2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 46560358
2-(2,3-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 24671897
8-methoxy-2-oxo-N-(1-propylbenzimidazol-2-yl)chromene-3-carboxamide
CID 17403937
2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide
CID 146154055
2-(2,3-dimethoxyphenyl)-4-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-1,3-thiazole
CID 30835362
2-(2,3-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 24671896
N-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 36751297
N-benzyl-2-(2,3-dimethoxyphenyl)-N-propyl-1,3-thiazole-4-carboxamide
CID 46553417
N-(1-ethylbenzimidazol-2-yl)-3,4,5-trimethoxybenzamide
CID 17417130
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 4800861
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-N-(1-propylbenzimidazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-N-(1-propylbenzimidazol-2-yl)-1,3-thiazole-4-carboxamide (CID 36717326) is 2-(2,3-dimethoxyphenyl)-N-(1-propylbenzimidazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-N-(1-propylbenzimidazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-N-(1-propylbenzimidazol-2-yl)-1,3-thiazole-4-carboxamide is CCCn1c(NC(=O)c2csc(-c3cccc(OC)c3OC)n2)nc2ccccc21.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-N-(1-propylbenzimidazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is HJHAINLMQBUDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-4-12-26-17-10-6-5-9-15(17)24-22(26)25-20(27)16-13-30-21(23-16)14-8-7-11-18(28-2)19(14)29-3/h5-11,13H,4,12H2,1-3H3,(H,24,25,27).
What are the key properties of 2-(2,3-dimethoxyphenyl)-N-(1-propylbenzimidazol-2-yl)-1,3-thiazole-4-carboxamide?
2-(2,3-dimethoxyphenyl)-N-(1-propylbenzimidazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-N-(1-propylbenzimidazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 36717326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).