2-(2-amino-5,6-dimethylbenzimidazol-1-yl)-2-methylpropanamide

C13H18N4O — CID 114281427

IUPAC2-(2-amino-5,6-dimethylbenzimidazol-1-yl)-2-methylpropanamide
SMILESCc1cc2nc(N)n(C(C)(C)C(N)=O)c2cc1C
InChIInChI=1S/C13H18N4O/c1-7-5-9-10(6-8(7)2)17(12(15)16-9)13(3,4)11(14)18/h5-6H,1-4H3,(H2,14,18)(H2,15,16)
InChIKeyNJFXQDXBDDHVRH-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.46
Rot. Bonds2

About 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)-2-methylpropanamide

2-(2-amino-5,6-dimethylbenzimidazol-1-yl)-2-methylpropanamide (PubChem CID 114281427) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(2-amino-5,6-dimethylbenzimidazol-1-yl)-2-methylpropanamide
PubChem CID114281427
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-(2-amino-5,6-dimethylbenzimidazol-1-yl)-2-methylpropanamide
SMILESCc1cc2nc(N)n(C(C)(C)C(N)=O)c2cc1C
InChIInChI=1S/C13H18N4O/c1-7-5-9-10(6-8(7)2)17(12(15)16-9)13(3,4)11(14)18/h5-6H,1-4H3,(H2,14,18)(H2,15,16)
InChIKeyNJFXQDXBDDHVRH-UHFFFAOYSA-N
XLogP1.46
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)-2-methylpropanamide?
The IUPAC name of 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)-2-methylpropanamide (CID 114281427) is 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)-2-methylpropanamide?
The canonical SMILES for 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)-2-methylpropanamide is Cc1cc2nc(N)n(C(C)(C)C(N)=O)c2cc1C.
What is the InChIKey of 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)-2-methylpropanamide?
The InChIKey is NJFXQDXBDDHVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-7-5-9-10(6-8(7)2)17(12(15)16-9)13(3,4)11(14)18/h5-6H,1-4H3,(H2,14,18)(H2,15,16).
What are the key properties of 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)-2-methylpropanamide?
2-(2-amino-5,6-dimethylbenzimidazol-1-yl)-2-methylpropanamide has a molecular weight of 246.31 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)-2-methylpropanamide is sourced from PubChem (CID 114281427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).