1-cyclopropyl-1-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)ethanamine

C14H19N3O2S — CID 81455811

IUPAC1-cyclopropyl-1-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)ethanamine
SMILESCn1c(C(C)(N)C2CC2)nc2cc(S(C)(=O)=O)ccc21
InChIInChI=1S/C14H19N3O2S/c1-14(15,9-4-5-9)13-16-11-8-10(20(3,18)19)6-7-12(11)17(13)2/h6-9H,4-5,15H2,1-3H3
InChIKeyQAVGRTKQTLVZFT-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.56
Rot. Bonds3

About 1-cyclopropyl-1-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)ethanamine

1-cyclopropyl-1-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)ethanamine (PubChem CID 81455811) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-cyclopropyl-1-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)ethanamine
PubChem CID81455811
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1-cyclopropyl-1-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)ethanamine
SMILESCn1c(C(C)(N)C2CC2)nc2cc(S(C)(=O)=O)ccc21
InChIInChI=1S/C14H19N3O2S/c1-14(15,9-4-5-9)13-16-11-8-10(20(3,18)19)6-7-12(11)17(13)2/h6-9H,4-5,15H2,1-3H3
InChIKeyQAVGRTKQTLVZFT-UHFFFAOYSA-N
XLogP1.56
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-1-methylbenzimidazol-2-yl)-1-cyclopropylethanamine
CID 64669270
1-(5-bromo-1-methylbenzimidazol-2-yl)-1-cyclopropylethanamine
CID 64669671
1-methyl-5-methylsulfonyl-2-(piperidin-3-ylmethyl)benzimidazole
CID 81456225
2-(chloromethyl)-1-methyl-5-methylsulfonylbenzimidazole
CID 70545396
1-cyclopropyl-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanamine
CID 64668673
2-(5-tert-butyl-1-methylbenzimidazol-2-yl)propan-2-amine
CID 84632050
1-methyl-5-methylsulfonyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 81456118
1-(5-chloro-1-propylbenzimidazol-2-yl)-1-cyclopropylethanamine
CID 64669272
2-tert-butyl-1-(cyclohexylmethyl)-5-[(5-methylsulfonyl-2-pyridinyl)sulfonyl]benzimidazole
CID 118945828
1-methyl-2-(4-methylpiperidin-4-yl)-5-methylsulfonylbenzimidazole
CID 81456723
2-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)pyridin-3-amine
CID 104740752
2-tert-butyl-5-[(2-fluoro-1,2-dihydropyridin-4-yl)sulfonyl]-1-methylbenzimidazole
CID 71130597

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)ethanamine?
The IUPAC name of 1-cyclopropyl-1-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)ethanamine (CID 81455811) is 1-cyclopropyl-1-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for 1-cyclopropyl-1-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)ethanamine is Cn1c(C(C)(N)C2CC2)nc2cc(S(C)(=O)=O)ccc21.
What is the InChIKey of 1-cyclopropyl-1-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)ethanamine?
The InChIKey is QAVGRTKQTLVZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-14(15,9-4-5-9)13-16-11-8-10(20(3,18)19)6-7-12(11)17(13)2/h6-9H,4-5,15H2,1-3H3.
What are the key properties of 1-cyclopropyl-1-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)ethanamine?
1-cyclopropyl-1-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)ethanamine has a molecular weight of 293.39 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 81455811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).