1-cyclopropyl-2-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)ethanamine

C14H19N3O2S — CID 82007699

IUPAC1-cyclopropyl-2-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)ethanamine
SMILESCn1c(CC(N)C2CC2)nc2c(S(C)(=O)=O)cccc21
InChIInChI=1S/C14H19N3O2S/c1-17-11-4-3-5-12(20(2,18)19)14(11)16-13(17)8-10(15)9-6-7-9/h3-5,9-10H,6-8,15H2,1-2H3
InChIKeyPZGATHNYNOMDPX-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.26
Rot. Bonds4

About 1-cyclopropyl-2-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)ethanamine

1-cyclopropyl-2-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)ethanamine (PubChem CID 82007699) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-cyclopropyl-2-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)ethanamine
PubChem CID82007699
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1-cyclopropyl-2-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)ethanamine
SMILESCn1c(CC(N)C2CC2)nc2c(S(C)(=O)=O)cccc21
InChIInChI=1S/C14H19N3O2S/c1-17-11-4-3-5-12(20(2,18)19)14(11)16-13(17)8-10(15)9-6-7-9/h3-5,9-10H,6-8,15H2,1-2H3
InChIKeyPZGATHNYNOMDPX-UHFFFAOYSA-N
XLogP1.26
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)ethanamine?
The IUPAC name of 1-cyclopropyl-2-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)ethanamine (CID 82007699) is 1-cyclopropyl-2-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for 1-cyclopropyl-2-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)ethanamine is Cn1c(CC(N)C2CC2)nc2c(S(C)(=O)=O)cccc21.
What is the InChIKey of 1-cyclopropyl-2-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)ethanamine?
The InChIKey is PZGATHNYNOMDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-17-11-4-3-5-12(20(2,18)19)14(11)16-13(17)8-10(15)9-6-7-9/h3-5,9-10H,6-8,15H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)ethanamine?
1-cyclopropyl-2-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)ethanamine has a molecular weight of 293.39 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 82007699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).