N,N-dimethyl-2-(4-methylsulfonyl-1H-benzimidazol-2-yl)ethanamine

C12H17N3O2S — CID 82007768

IUPACN,N-dimethyl-2-(4-methylsulfonyl-1H-benzimidazol-2-yl)ethanamine
SMILESCN(C)CCc1nc2c(S(C)(=O)=O)cccc2[nH]1
InChIInChI=1S/C12H17N3O2S/c1-15(2)8-7-11-13-9-5-4-6-10(12(9)14-11)18(3,16)17/h4-6H,7-8H2,1-3H3,(H,13,14)
InChIKeyNKYMFHIJFCAKFL-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.07
Rot. Bonds4

About N,N-dimethyl-2-(4-methylsulfonyl-1H-benzimidazol-2-yl)ethanamine

N,N-dimethyl-2-(4-methylsulfonyl-1H-benzimidazol-2-yl)ethanamine (PubChem CID 82007768) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methylsulfonyl-1H-benzimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-methylsulfonyl-1H-benzimidazol-2-yl)ethanamine
PubChem CID82007768
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN,N-dimethyl-2-(4-methylsulfonyl-1H-benzimidazol-2-yl)ethanamine
SMILESCN(C)CCc1nc2c(S(C)(=O)=O)cccc2[nH]1
InChIInChI=1S/C12H17N3O2S/c1-15(2)8-7-11-13-9-5-4-6-10(12(9)14-11)18(3,16)17/h4-6H,7-8H2,1-3H3,(H,13,14)
InChIKeyNKYMFHIJFCAKFL-UHFFFAOYSA-N
XLogP1.07
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methylsulfonyl-1H-benzimidazol-2-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(4-methylsulfonyl-1H-benzimidazol-2-yl)ethanamine (CID 82007768) is N,N-dimethyl-2-(4-methylsulfonyl-1H-benzimidazol-2-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(4-methylsulfonyl-1H-benzimidazol-2-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(4-methylsulfonyl-1H-benzimidazol-2-yl)ethanamine is CN(C)CCc1nc2c(S(C)(=O)=O)cccc2[nH]1.
What is the InChIKey of N,N-dimethyl-2-(4-methylsulfonyl-1H-benzimidazol-2-yl)ethanamine?
The InChIKey is NKYMFHIJFCAKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-15(2)8-7-11-13-9-5-4-6-10(12(9)14-11)18(3,16)17/h4-6H,7-8H2,1-3H3,(H,13,14).
What are the key properties of N,N-dimethyl-2-(4-methylsulfonyl-1H-benzimidazol-2-yl)ethanamine?
N,N-dimethyl-2-(4-methylsulfonyl-1H-benzimidazol-2-yl)ethanamine has a molecular weight of 267.35 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-methylsulfonyl-1H-benzimidazol-2-yl)ethanamine is sourced from PubChem (CID 82007768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).