2-ethyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine

C14H21N3O2S — CID 79550091

IUPAC2-ethyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1CC(C)(C)S(C)(=O)=O
InChIInChI=1S/C14H21N3O2S/c1-5-13-16-11-8-10(15)6-7-12(11)17(13)9-14(2,3)20(4,18)19/h6-8H,5,9,15H2,1-4H3
InChIKeyWVBRIRAYMBUCRW-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.00
Rot. Bonds4

About 2-ethyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine

2-ethyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine (PubChem CID 79550091) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-ethyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-ethyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine
PubChem CID79550091
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-ethyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1CC(C)(C)S(C)(=O)=O
InChIInChI=1S/C14H21N3O2S/c1-5-13-16-11-8-10(15)6-7-12(11)17(13)9-14(2,3)20(4,18)19/h6-8H,5,9,15H2,1-4H3
InChIKeyWVBRIRAYMBUCRW-UHFFFAOYSA-N
XLogP2.00
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine
CID 79558467
2-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]-2-ethylbutan-1-ol
CID 106254051
2-(chloromethyl)-1-(2-methyl-2-methylsulfonylpropyl)benzimidazole
CID 79561713
4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide
CID 62508369
1-(3,3-dimethylbutan-2-yl)-2-ethylbenzimidazol-5-amine
CID 113458050
2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine
CID 63498106
2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
CID 62507566
3-(5-amino-2-propylbenzimidazol-1-yl)-2,2-dimethylpropan-1-ol
CID 115363216
2-ethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazol-5-amine
CID 55079804
2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-5-amine
CID 106408016
2-ethyl-1-(thiophen-3-ylmethyl)benzimidazol-5-amine
CID 55175058
3-(5-amino-2-ethylbenzimidazol-1-yl)-N-propylpropanamide
CID 62506748

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine?
The IUPAC name of 2-ethyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine (CID 79550091) is 2-ethyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine.
What is the SMILES notation for 2-ethyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine?
The canonical SMILES for 2-ethyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine is CCc1nc2cc(N)ccc2n1CC(C)(C)S(C)(=O)=O.
What is the InChIKey of 2-ethyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine?
The InChIKey is WVBRIRAYMBUCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-5-13-16-11-8-10(15)6-7-12(11)17(13)9-14(2,3)20(4,18)19/h6-8H,5,9,15H2,1-4H3.
What are the key properties of 2-ethyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine?
2-ethyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine has a molecular weight of 295.41 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine is sourced from PubChem (CID 79550091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).