2-methyl-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)propan-2-amine

C12H17N3O2S — CID 64671829

IUPAC2-methyl-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)propan-2-amine
SMILESCC(C)(N)Cc1nc2ccc(S(C)(=O)=O)cc2[nH]1
InChIInChI=1S/C12H17N3O2S/c1-12(2,13)7-11-14-9-5-4-8(18(3,16)17)6-10(9)15-11/h4-6H,7,13H2,1-3H3,(H,14,15)
InChIKeyHLCRAMPPXMZZCJ-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.25
Rot. Bonds3

About 2-methyl-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)propan-2-amine

2-methyl-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)propan-2-amine (PubChem CID 64671829) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-methyl-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)propan-2-amine
PubChem CID64671829
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-methyl-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)propan-2-amine
SMILESCC(C)(N)Cc1nc2ccc(S(C)(=O)=O)cc2[nH]1
InChIInChI=1S/C12H17N3O2S/c1-12(2,13)7-11-14-9-5-4-8(18(3,16)17)6-10(9)15-11/h4-6H,7,13H2,1-3H3,(H,14,15)
InChIKeyHLCRAMPPXMZZCJ-UHFFFAOYSA-N
XLogP1.25
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-6-methylsulfonyl-1H-benzimidazole
CID 62067786
2-(3-methylbutyl)-6-methylsulfonyl-1H-benzimidazole
CID 62068084
1-[(6-methylsulfonyl-1H-benzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 79846343
2-ethyl-3H-benzimidazole-5-sulfonamide
CID 60649079
2-ethyl-6-[(2-ethyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 139799496
1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-2-amine
CID 82493442
2-(aminomethyl)-3H-benzimidazole-5-sulfonate
CID 153436267
3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)aniline
CID 107793623
[6-[[2-(hydroxymethyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazol-2-yl]methanol
CID 1080107
2-(1,4-diazepan-1-ylmethyl)-6-methylsulfonyl-1H-benzimidazole
CID 62823587
ethyl 6-methylsulfonyl-1H-benzimidazole-2-carboxylate
CID 63357941
6-methylsulfonyl-2-propan-2-yl-1H-benzimidazole;molecular hydrogen
CID 142431788

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)propan-2-amine?
The IUPAC name of 2-methyl-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)propan-2-amine (CID 64671829) is 2-methyl-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)propan-2-amine is CC(C)(N)Cc1nc2ccc(S(C)(=O)=O)cc2[nH]1.
What is the InChIKey of 2-methyl-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)propan-2-amine?
The InChIKey is HLCRAMPPXMZZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-12(2,13)7-11-14-9-5-4-8(18(3,16)17)6-10(9)15-11/h4-6H,7,13H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)propan-2-amine?
2-methyl-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)propan-2-amine has a molecular weight of 267.35 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 64671829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).