N-(1-tert-butylbenzimidazol-2-yl)-5-methylpyrazine-2-carboxamide

C17H19N5O — CID 51093633

IUPACN-(1-tert-butylbenzimidazol-2-yl)-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2nc3ccccc3n2C(C)(C)C)cn1
InChIInChI=1S/C17H19N5O/c1-11-9-19-13(10-18-11)15(23)21-16-20-12-7-5-6-8-14(12)22(16)17(2,3)4/h5-10H,1-4H3,(H,20,21,23)
InChIKeyKHZAXZSHXCDELY-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.14
Rot. Bonds2

About N-(1-tert-butylbenzimidazol-2-yl)-5-methylpyrazine-2-carboxamide

N-(1-tert-butylbenzimidazol-2-yl)-5-methylpyrazine-2-carboxamide (PubChem CID 51093633) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(1-tert-butylbenzimidazol-2-yl)-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butylbenzimidazol-2-yl)-5-methylpyrazine-2-carboxamide
PubChem CID51093633
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-(1-tert-butylbenzimidazol-2-yl)-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2nc3ccccc3n2C(C)(C)C)cn1
InChIInChI=1S/C17H19N5O/c1-11-9-19-13(10-18-11)15(23)21-16-20-12-7-5-6-8-14(12)22(16)17(2,3)4/h5-10H,1-4H3,(H,20,21,23)
InChIKeyKHZAXZSHXCDELY-UHFFFAOYSA-N
XLogP3.14
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylbenzimidazol-2-yl)-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-(1-tert-butylbenzimidazol-2-yl)-5-methylpyrazine-2-carboxamide (CID 51093633) is N-(1-tert-butylbenzimidazol-2-yl)-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-(1-tert-butylbenzimidazol-2-yl)-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-(1-tert-butylbenzimidazol-2-yl)-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2nc3ccccc3n2C(C)(C)C)cn1.
What is the InChIKey of N-(1-tert-butylbenzimidazol-2-yl)-5-methylpyrazine-2-carboxamide?
The InChIKey is KHZAXZSHXCDELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11-9-19-13(10-18-11)15(23)21-16-20-12-7-5-6-8-14(12)22(16)17(2,3)4/h5-10H,1-4H3,(H,20,21,23).
What are the key properties of N-(1-tert-butylbenzimidazol-2-yl)-5-methylpyrazine-2-carboxamide?
N-(1-tert-butylbenzimidazol-2-yl)-5-methylpyrazine-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylbenzimidazol-2-yl)-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 51093633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).