N-[1-(2-amino-6,7-difluorobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide

C12H16F2N4O2S — CID 63860954

IUPACN-[1-(2-amino-6,7-difluorobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(Cn1c(N)nc2ccc(F)c(F)c21)NS(C)(=O)=O
InChIInChI=1S/C12H16F2N4O2S/c1-12(2,17-21(3,19)20)6-18-10-8(16-11(18)15)5-4-7(13)9(10)14/h4-5,17H,6H2,1-3H3,(H2,15,16)
InChIKeyXMQOACFTZJMBHM-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.22
Rot. Bonds4

About N-[1-(2-amino-6,7-difluorobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide

N-[1-(2-amino-6,7-difluorobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 63860954) has the molecular formula C12H16F2N4O2S and a molecular weight of 318.35 g/mol. Its IUPAC name is N-[1-(2-amino-6,7-difluorobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-amino-6,7-difluorobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide
PubChem CID63860954
Molecular FormulaC12H16F2N4O2S
Molecular Weight318.35 g/mol
Exact Mass318.10
IUPAC NameN-[1-(2-amino-6,7-difluorobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(Cn1c(N)nc2ccc(F)c(F)c21)NS(C)(=O)=O
InChIInChI=1S/C12H16F2N4O2S/c1-12(2,17-21(3,19)20)6-18-10-8(16-11(18)15)5-4-7(13)9(10)14/h4-5,17H,6H2,1-3H3,(H2,15,16)
InChIKeyXMQOACFTZJMBHM-UHFFFAOYSA-N
XLogP1.22
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-6,7-difluorobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-(2-amino-6,7-difluorobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide (CID 63860954) is N-[1-(2-amino-6,7-difluorobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2-amino-6,7-difluorobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2-amino-6,7-difluorobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide is CC(C)(Cn1c(N)nc2ccc(F)c(F)c21)NS(C)(=O)=O.
What is the InChIKey of N-[1-(2-amino-6,7-difluorobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is XMQOACFTZJMBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4O2S/c1-12(2,17-21(3,19)20)6-18-10-8(16-11(18)15)5-4-7(13)9(10)14/h4-5,17H,6H2,1-3H3,(H2,15,16).
What are the key properties of N-[1-(2-amino-6,7-difluorobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide?
N-[1-(2-amino-6,7-difluorobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 318.35 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-6,7-difluorobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 63860954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).