3-(2-amino-6,7-difluorobenzimidazol-1-yl)-2,2-dimethylpropanamide

C12H14F2N4O — CID 106278489

IUPAC3-(2-amino-6,7-difluorobenzimidazol-1-yl)-2,2-dimethylpropanamide
SMILESCC(C)(Cn1c(N)nc2ccc(F)c(F)c21)C(N)=O
InChIInChI=1S/C12H14F2N4O/c1-12(2,10(15)19)5-18-9-7(17-11(18)16)4-3-6(13)8(9)14/h3-4H,5H2,1-2H3,(H2,15,19)(H2,16,17)
InChIKeyQGTLZPFOEXXOLD-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.41
Rot. Bonds3

About 3-(2-amino-6,7-difluorobenzimidazol-1-yl)-2,2-dimethylpropanamide

3-(2-amino-6,7-difluorobenzimidazol-1-yl)-2,2-dimethylpropanamide (PubChem CID 106278489) has the molecular formula C12H14F2N4O and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-(2-amino-6,7-difluorobenzimidazol-1-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(2-amino-6,7-difluorobenzimidazol-1-yl)-2,2-dimethylpropanamide
PubChem CID106278489
Molecular FormulaC12H14F2N4O
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name3-(2-amino-6,7-difluorobenzimidazol-1-yl)-2,2-dimethylpropanamide
SMILESCC(C)(Cn1c(N)nc2ccc(F)c(F)c21)C(N)=O
InChIInChI=1S/C12H14F2N4O/c1-12(2,10(15)19)5-18-9-7(17-11(18)16)4-3-6(13)8(9)14/h3-4H,5H2,1-2H3,(H2,15,19)(H2,16,17)
InChIKeyQGTLZPFOEXXOLD-UHFFFAOYSA-N
XLogP1.41
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-amino-6,7-difluorobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide
CID 63860954
methyl 2-(2-amino-6,7-difluorobenzimidazol-1-yl)acetate
CID 62532038
6,7-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine
CID 83143531
3-(6,7-difluoro-2-sulfanylidene-3H-benzimidazol-1-yl)-2,2-dimethylpropanamide
CID 106276526
3-(2-amino-6-methoxybenzimidazol-1-yl)-2,2-dimethylpropanamide
CID 106278480
6,7-difluoro-1-(2-methylsulfanylpropyl)benzimidazol-2-amine
CID 113466697
3-(2-amino-6,7-difluorobenzimidazol-1-yl)-N-butan-2-ylpropanamide
CID 62533064
6,7-difluoro-1-methylbenzimidazol-2-amine
CID 62532542
6,7-difluoro-1-(2-phenylethyl)benzimidazol-2-amine
CID 62531704
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-difluorobenzimidazol-2-amine
CID 106302379
1-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine
CID 106035579
6,7-difluoro-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-2-amine
CID 62533220

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6,7-difluorobenzimidazol-1-yl)-2,2-dimethylpropanamide?
The IUPAC name of 3-(2-amino-6,7-difluorobenzimidazol-1-yl)-2,2-dimethylpropanamide (CID 106278489) is 3-(2-amino-6,7-difluorobenzimidazol-1-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(2-amino-6,7-difluorobenzimidazol-1-yl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-(2-amino-6,7-difluorobenzimidazol-1-yl)-2,2-dimethylpropanamide is CC(C)(Cn1c(N)nc2ccc(F)c(F)c21)C(N)=O.
What is the InChIKey of 3-(2-amino-6,7-difluorobenzimidazol-1-yl)-2,2-dimethylpropanamide?
The InChIKey is QGTLZPFOEXXOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O/c1-12(2,10(15)19)5-18-9-7(17-11(18)16)4-3-6(13)8(9)14/h3-4H,5H2,1-2H3,(H2,15,19)(H2,16,17).
What are the key properties of 3-(2-amino-6,7-difluorobenzimidazol-1-yl)-2,2-dimethylpropanamide?
3-(2-amino-6,7-difluorobenzimidazol-1-yl)-2,2-dimethylpropanamide has a molecular weight of 268.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6,7-difluorobenzimidazol-1-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 106278489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).