N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazine-2-carboxamide

C15H15N5O — CID 110793209

IUPACN-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazine-2-carboxamide
SMILESCC(C)c1nc2ccc(NC(=O)c3cnccn3)cc2[nH]1
InChIInChI=1S/C15H15N5O/c1-9(2)14-19-11-4-3-10(7-12(11)20-14)18-15(21)13-8-16-5-6-17-13/h3-9H,1-2H3,(H,18,21)(H,19,20)
InChIKeyIZPJSHLHMJYUEM-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.73
Rot. Bonds3

About N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazine-2-carboxamide

N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazine-2-carboxamide (PubChem CID 110793209) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazine-2-carboxamide
PubChem CID110793209
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazine-2-carboxamide
SMILESCC(C)c1nc2ccc(NC(=O)c3cnccn3)cc2[nH]1
InChIInChI=1S/C15H15N5O/c1-9(2)14-19-11-4-3-10(7-12(11)20-14)18-15(21)13-8-16-5-6-17-13/h3-9H,1-2H3,(H,18,21)(H,19,20)
InChIKeyIZPJSHLHMJYUEM-UHFFFAOYSA-N
XLogP2.73
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazine-2-carboxamide (CID 110793209) is N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazine-2-carboxamide is CC(C)c1nc2ccc(NC(=O)c3cnccn3)cc2[nH]1.
What is the InChIKey of N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazine-2-carboxamide?
The InChIKey is IZPJSHLHMJYUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-9(2)14-19-11-4-3-10(7-12(11)20-14)18-15(21)13-8-16-5-6-17-13/h3-9H,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazine-2-carboxamide?
N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazine-2-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 110793209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).