5-bromo-4-methyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-3-carboxamide

C20H17BrN4OS — CID 167979091

IUPAC5-bromo-4-methyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-3-carboxamide
SMILESCc1c(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)csc1Br
InChIInChI=1S/C20H17BrN4OS/c1-13-15(12-27-18(13)21)19(26)24-20-23-16-7-2-3-8-17(16)25(20)11-9-14-6-4-5-10-22-14/h2-8,10,12H,9,11H2,1H3,(H,23,24,26)
InChIKeyXNQRQQFSNSCJEP-UHFFFAOYSA-N
MW441.35 g/mol
LogP5.06
Rot. Bonds5

About 5-bromo-4-methyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-3-carboxamide

5-bromo-4-methyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-3-carboxamide (PubChem CID 167979091) has the molecular formula C20H17BrN4OS and a molecular weight of 441.35 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-3-carboxamide
PubChem CID167979091
Molecular FormulaC20H17BrN4OS
Molecular Weight441.35 g/mol
Exact Mass440.03
IUPAC Name5-bromo-4-methyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-3-carboxamide
SMILESCc1c(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)csc1Br
InChIInChI=1S/C20H17BrN4OS/c1-13-15(12-27-18(13)21)19(26)24-20-23-16-7-2-3-8-17(16)25(20)11-9-14-6-4-5-10-22-14/h2-8,10,12H,9,11H2,1H3,(H,23,24,26)
InChIKeyXNQRQQFSNSCJEP-UHFFFAOYSA-N
XLogP5.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.35
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dibromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 167838423
N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-2-carboxamide
CID 167971405
3-amino-6-bromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide
CID 167796521
2-(2-methoxyphenyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
CID 167793542
6-(1,1-difluoroethyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 167807665
1-propan-2-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]triazole-4-carboxamide
CID 167815697
2,3-dimethyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-4H-furo[3,2-b]pyrrole-5-carboxamide
CID 167780142
N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 167991259
4-pyrazol-1-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 167795718
4-(2,2-difluoroethoxy)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 167956341
2-(1-phenylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
CID 167795641
5-amino-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167821747

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-3-carboxamide (CID 167979091) is 5-bromo-4-methyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-3-carboxamide is Cc1c(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)csc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-3-carboxamide?
The InChIKey is XNQRQQFSNSCJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4OS/c1-13-15(12-27-18(13)21)19(26)24-20-23-16-7-2-3-8-17(16)25(20)11-9-14-6-4-5-10-22-14/h2-8,10,12H,9,11H2,1H3,(H,23,24,26).
What are the key properties of 5-bromo-4-methyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-3-carboxamide?
5-bromo-4-methyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-3-carboxamide has a molecular weight of 441.35 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 167979091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).