2-(2-methoxyphenyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide

C25H21N5O2S — CID 167793542

IUPAC2-(2-methoxyphenyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1-c1nc(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)cs1
InChIInChI=1S/C25H21N5O2S/c1-32-22-12-5-2-9-18(22)24-27-20(16-33-24)23(31)29-25-28-19-10-3-4-11-21(19)30(25)15-13-17-8-6-7-14-26-17/h2-12,14,16H,13,15H2,1H3,(H,28,29,31)
InChIKeyALHKVPFATQKYQV-UHFFFAOYSA-N
MW455.54 g/mol
LogP5.06
Rot. Bonds7

About 2-(2-methoxyphenyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide

2-(2-methoxyphenyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 167793542) has the molecular formula C25H21N5O2S and a molecular weight of 455.54 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID167793542
Molecular FormulaC25H21N5O2S
Molecular Weight455.54 g/mol
Exact Mass455.14
IUPAC Name2-(2-methoxyphenyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1-c1nc(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)cs1
InChIInChI=1S/C25H21N5O2S/c1-32-22-12-5-2-9-18(22)24-27-20(16-33-24)23(31)29-25-28-19-10-3-4-11-21(19)30(25)15-13-17-8-6-7-14-26-17/h2-12,14,16H,13,15H2,1H3,(H,28,29,31)
InChIKeyALHKVPFATQKYQV-UHFFFAOYSA-N
XLogP5.06
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.54
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,3-dimethoxyphenyl)-N-(1-propylbenzimidazol-2-yl)-1,3-thiazole-4-carboxamide
CID 36717326
2-(1-phenylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
CID 167795641
N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-2-carboxamide
CID 167971405
N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 167991259
3,4-dibromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 167838423
4-pyrazol-1-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 167795718
5-bromo-4-methyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-3-carboxamide
CID 167979091
1-propan-2-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]triazole-4-carboxamide
CID 167815697
6-(1,1-difluoroethyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 167807665
4-(2,2-difluoroethoxy)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 167956341
5-amino-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167821747
3-amino-6-bromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide
CID 167796521

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide (CID 167793542) is 2-(2-methoxyphenyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide is COc1ccccc1-c1nc(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)cs1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is ALHKVPFATQKYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2S/c1-32-22-12-5-2-9-18(22)24-27-20(16-33-24)23(31)29-25-28-19-10-3-4-11-21(19)30(25)15-13-17-8-6-7-14-26-17/h2-12,14,16H,13,15H2,1H3,(H,28,29,31).
What are the key properties of 2-(2-methoxyphenyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide?
2-(2-methoxyphenyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 167793542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).