2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonylpropan-1-amine

C14H21N3O2S — CID 79559017

IUPAC2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonylpropan-1-amine
SMILESCn1c(CNCC(C)(C)S(C)(=O)=O)nc2ccccc21
InChIInChI=1S/C14H21N3O2S/c1-14(2,20(4,18)19)10-15-9-13-16-11-7-5-6-8-12(11)17(13)3/h5-8,15H,9-10H2,1-4H3
InChIKeyYBJRKBDGCLXCSD-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.49
Rot. Bonds5

About 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonylpropan-1-amine

2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonylpropan-1-amine (PubChem CID 79559017) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonylpropan-1-amine
PubChem CID79559017
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonylpropan-1-amine
SMILESCn1c(CNCC(C)(C)S(C)(=O)=O)nc2ccccc21
InChIInChI=1S/C14H21N3O2S/c1-14(2,20(4,18)19)10-15-9-13-16-11-7-5-6-8-12(11)17(13)3/h5-8,15H,9-10H2,1-4H3
InChIKeyYBJRKBDGCLXCSD-UHFFFAOYSA-N
XLogP1.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
CID 110712040
2-ethyl-2-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]butan-1-ol
CID 103845498
2,5-dimethyl-1-[(1-methylbenzimidazol-2-yl)methylamino]hexan-2-ol
CID 111449398
1-(1-methylbenzimidazol-2-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724272
1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea
CID 110747240
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 78809665
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine
CID 119109932
N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 154747523
3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 115639506
N-[(1-methylbenzimidazol-2-yl)methyl]-3-methylsulfinylpropan-1-amine
CID 115632872
2-(chloromethyl)-1-(2-methyl-2-methylsulfonylpropyl)benzimidazole
CID 79561713
bis(1-(1-methylbenzimidazol-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine);bis(nickel(2+));triacetate;perchlorate;pentahydrate
CID 139151681

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonylpropan-1-amine?
The IUPAC name of 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonylpropan-1-amine (CID 79559017) is 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonylpropan-1-amine is Cn1c(CNCC(C)(C)S(C)(=O)=O)nc2ccccc21.
What is the InChIKey of 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonylpropan-1-amine?
The InChIKey is YBJRKBDGCLXCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-14(2,20(4,18)19)10-15-9-13-16-11-7-5-6-8-12(11)17(13)3/h5-8,15H,9-10H2,1-4H3.
What are the key properties of 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonylpropan-1-amine?
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonylpropan-1-amine has a molecular weight of 295.41 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 79559017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).