3-amino-6-bromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide

C19H16BrN7O — CID 167796521

IUPAC3-amino-6-bromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide
SMILESNc1ncc(Br)nc1C(=O)Nc1nc2ccccc2n1CCc1ccccn1
InChIInChI=1S/C19H16BrN7O/c20-15-11-23-17(21)16(25-15)18(28)26-19-24-13-6-1-2-7-14(13)27(19)10-8-12-5-3-4-9-22-12/h1-7,9,11H,8,10H2,(H2,21,23)(H,24,26,28)
InChIKeyXTSZZGLAQZQBJW-UHFFFAOYSA-N
MW438.29 g/mol
LogP3.06
Rot. Bonds5

About 3-amino-6-bromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide

3-amino-6-bromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide (PubChem CID 167796521) has the molecular formula C19H16BrN7O and a molecular weight of 438.29 g/mol. Its IUPAC name is 3-amino-6-bromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-bromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide
PubChem CID167796521
Molecular FormulaC19H16BrN7O
Molecular Weight438.29 g/mol
Exact Mass437.06
IUPAC Name3-amino-6-bromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide
SMILESNc1ncc(Br)nc1C(=O)Nc1nc2ccccc2n1CCc1ccccn1
InChIInChI=1S/C19H16BrN7O/c20-15-11-23-17(21)16(25-15)18(28)26-19-24-13-6-1-2-7-14(13)27(19)10-8-12-5-3-4-9-22-12/h1-7,9,11H,8,10H2,(H2,21,23)(H,24,26,28)
InChIKeyXTSZZGLAQZQBJW-UHFFFAOYSA-N
XLogP3.06
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.29
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-2-carboxamide
CID 167971405
3,4-dibromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 167838423
5-amino-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167821747
5-bromo-4-methyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-3-carboxamide
CID 167979091
5-chloro-2-cyclopropyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-4-carboxamide
CID 167806826
N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 167991259
1-propan-2-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]triazole-4-carboxamide
CID 167815697
4-pyrazol-1-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 167795718
6-(1,1-difluoroethyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 167807665
2-(2-methoxyphenyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
CID 167793542
2-(1-phenylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
CID 167795641
4-(2,2-difluoroethoxy)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 167956341

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-bromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide (CID 167796521) is 3-amino-6-bromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-bromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-bromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide is Nc1ncc(Br)nc1C(=O)Nc1nc2ccccc2n1CCc1ccccn1.
What is the InChIKey of 3-amino-6-bromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide?
The InChIKey is XTSZZGLAQZQBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN7O/c20-15-11-23-17(21)16(25-15)18(28)26-19-24-13-6-1-2-7-14(13)27(19)10-8-12-5-3-4-9-22-12/h1-7,9,11H,8,10H2,(H2,21,23)(H,24,26,28).
What are the key properties of 3-amino-6-bromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide?
3-amino-6-bromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide has a molecular weight of 438.29 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 167796521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).