1-tert-butyl-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide

C21H21N5OS — CID 167320182

IUPAC1-tert-butyl-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)Nc3nc(-c4ccccn4)cs3)ccc2n1C(C)(C)C
InChIInChI=1S/C21H21N5OS/c1-13-23-16-11-14(8-9-18(16)26(13)21(2,3)4)19(27)25-20-24-17(12-28-20)15-7-5-6-10-22-15/h5-12H,1-4H3,(H,24,25,27)
InChIKeyJSGZJFIHNACIOT-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.87
Rot. Bonds3

About 1-tert-butyl-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide

1-tert-butyl-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide (PubChem CID 167320182) has the molecular formula C21H21N5OS and a molecular weight of 391.50 g/mol. Its IUPAC name is 1-tert-butyl-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide
PubChem CID167320182
Molecular FormulaC21H21N5OS
Molecular Weight391.50 g/mol
Exact Mass391.15
IUPAC Name1-tert-butyl-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)Nc3nc(-c4ccccn4)cs3)ccc2n1C(C)(C)C
InChIInChI=1S/C21H21N5OS/c1-13-23-16-11-14(8-9-18(16)26(13)21(2,3)4)19(27)25-20-24-17(12-28-20)15-7-5-6-10-22-15/h5-12H,1-4H3,(H,24,25,27)
InChIKeyJSGZJFIHNACIOT-UHFFFAOYSA-N
XLogP4.87
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4158043
1,2-dimethyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide
CID 51101287
4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4646220
2-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-dihydroindole-5-carboxamide
CID 108797962
3-(4-methylpiperazine-1-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 176676308
3-(ethylideneamino)-4-(methylideneamino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 129259431
5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 2462544
4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 108766703
4-methoxy-3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 8924132
3-[2-(dimethylamino)-2-oxoethoxy]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 87000563
2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 4798895
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide?
The IUPAC name of 1-tert-butyl-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide (CID 167320182) is 1-tert-butyl-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-tert-butyl-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-tert-butyl-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide is Cc1nc2cc(C(=O)Nc3nc(-c4ccccn4)cs3)ccc2n1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide?
The InChIKey is JSGZJFIHNACIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS/c1-13-23-16-11-14(8-9-18(16)26(13)21(2,3)4)19(27)25-20-24-17(12-28-20)15-7-5-6-10-22-15/h5-12H,1-4H3,(H,24,25,27).
What are the key properties of 1-tert-butyl-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide?
1-tert-butyl-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide is sourced from PubChem (CID 167320182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).