2-(2-amino-6-cyanobenzimidazol-1-yl)-2-methylpropanamide

C12H13N5O — CID 104714977

IUPAC2-(2-amino-6-cyanobenzimidazol-1-yl)-2-methylpropanamide
SMILESCC(C)(C(N)=O)n1c(N)nc2ccc(C#N)cc21
InChIInChI=1S/C12H13N5O/c1-12(2,10(14)18)17-9-5-7(6-13)3-4-8(9)16-11(17)15/h3-5H,1-2H3,(H2,14,18)(H2,15,16)
InChIKeyNEUORWLONNUWPS-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.71
Rot. Bonds2

About 2-(2-amino-6-cyanobenzimidazol-1-yl)-2-methylpropanamide

2-(2-amino-6-cyanobenzimidazol-1-yl)-2-methylpropanamide (PubChem CID 104714977) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-(2-amino-6-cyanobenzimidazol-1-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(2-amino-6-cyanobenzimidazol-1-yl)-2-methylpropanamide
PubChem CID104714977
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name2-(2-amino-6-cyanobenzimidazol-1-yl)-2-methylpropanamide
SMILESCC(C)(C(N)=O)n1c(N)nc2ccc(C#N)cc21
InChIInChI=1S/C12H13N5O/c1-12(2,10(14)18)17-9-5-7(6-13)3-4-8(9)16-11(17)15/h3-5H,1-2H3,(H2,14,18)(H2,15,16)
InChIKeyNEUORWLONNUWPS-UHFFFAOYSA-N
XLogP0.71
TPSA110.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-cyanobenzimidazol-1-yl)-2-methylpropanamide?
The IUPAC name of 2-(2-amino-6-cyanobenzimidazol-1-yl)-2-methylpropanamide (CID 104714977) is 2-(2-amino-6-cyanobenzimidazol-1-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(2-amino-6-cyanobenzimidazol-1-yl)-2-methylpropanamide?
The canonical SMILES for 2-(2-amino-6-cyanobenzimidazol-1-yl)-2-methylpropanamide is CC(C)(C(N)=O)n1c(N)nc2ccc(C#N)cc21.
What is the InChIKey of 2-(2-amino-6-cyanobenzimidazol-1-yl)-2-methylpropanamide?
The InChIKey is NEUORWLONNUWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-12(2,10(14)18)17-9-5-7(6-13)3-4-8(9)16-11(17)15/h3-5H,1-2H3,(H2,14,18)(H2,15,16).
What are the key properties of 2-(2-amino-6-cyanobenzimidazol-1-yl)-2-methylpropanamide?
2-(2-amino-6-cyanobenzimidazol-1-yl)-2-methylpropanamide has a molecular weight of 243.27 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-cyanobenzimidazol-1-yl)-2-methylpropanamide is sourced from PubChem (CID 104714977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).