N-[1-(2-amino-6-bromobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide

C12H17BrN4O2S — CID 65344577

IUPACN-[1-(2-amino-6-bromobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(Cn1c(N)nc2ccc(Br)cc21)NS(C)(=O)=O
InChIInChI=1S/C12H17BrN4O2S/c1-12(2,16-20(3,18)19)7-17-10-6-8(13)4-5-9(10)15-11(17)14/h4-6,16H,7H2,1-3H3,(H2,14,15)
InChIKeyHBNINWNNHHQXIV-UHFFFAOYSA-N
MW361.27 g/mol
LogP1.71
Rot. Bonds4

About N-[1-(2-amino-6-bromobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide

N-[1-(2-amino-6-bromobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 65344577) has the molecular formula C12H17BrN4O2S and a molecular weight of 361.27 g/mol. Its IUPAC name is N-[1-(2-amino-6-bromobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-amino-6-bromobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide
PubChem CID65344577
Molecular FormulaC12H17BrN4O2S
Molecular Weight361.27 g/mol
Exact Mass360.03
IUPAC NameN-[1-(2-amino-6-bromobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(Cn1c(N)nc2ccc(Br)cc21)NS(C)(=O)=O
InChIInChI=1S/C12H17BrN4O2S/c1-12(2,16-20(3,18)19)7-17-10-6-8(13)4-5-9(10)15-11(17)14/h4-6,16H,7H2,1-3H3,(H2,14,15)
InChIKeyHBNINWNNHHQXIV-UHFFFAOYSA-N
XLogP1.71
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 51.71
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-bromobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-(2-amino-6-bromobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide (CID 65344577) is N-[1-(2-amino-6-bromobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2-amino-6-bromobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2-amino-6-bromobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide is CC(C)(Cn1c(N)nc2ccc(Br)cc21)NS(C)(=O)=O.
What is the InChIKey of N-[1-(2-amino-6-bromobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is HBNINWNNHHQXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O2S/c1-12(2,16-20(3,18)19)7-17-10-6-8(13)4-5-9(10)15-11(17)14/h4-6,16H,7H2,1-3H3,(H2,14,15).
What are the key properties of N-[1-(2-amino-6-bromobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide?
N-[1-(2-amino-6-bromobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 361.27 g/mol, XLogP of 1.71, 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-bromobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 65344577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).