1-(3,3-dimethylcyclopentyl)-4-methylsulfonylbenzimidazol-2-amine

C15H21N3O2S — CID 114548406

IUPAC1-(3,3-dimethylcyclopentyl)-4-methylsulfonylbenzimidazol-2-amine
SMILESCC1(C)CCC(n2c(N)nc3c(S(C)(=O)=O)cccc32)C1
InChIInChI=1S/C15H21N3O2S/c1-15(2)8-7-10(9-15)18-11-5-4-6-12(21(3,19)20)13(11)17-14(18)16/h4-6,10H,7-9H2,1-3H3,(H2,16,17)
InChIKeyIJQNQWNXHVEYBS-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.77
Rot. Bonds2

About 1-(3,3-dimethylcyclopentyl)-4-methylsulfonylbenzimidazol-2-amine

1-(3,3-dimethylcyclopentyl)-4-methylsulfonylbenzimidazol-2-amine (PubChem CID 114548406) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclopentyl)-4-methylsulfonylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3,3-dimethylcyclopentyl)-4-methylsulfonylbenzimidazol-2-amine
PubChem CID114548406
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-(3,3-dimethylcyclopentyl)-4-methylsulfonylbenzimidazol-2-amine
SMILESCC1(C)CCC(n2c(N)nc3c(S(C)(=O)=O)cccc32)C1
InChIInChI=1S/C15H21N3O2S/c1-15(2)8-7-10(9-15)18-11-5-4-6-12(21(3,19)20)13(11)17-14(18)16/h4-6,10H,7-9H2,1-3H3,(H2,16,17)
InChIKeyIJQNQWNXHVEYBS-UHFFFAOYSA-N
XLogP2.77
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylcyclopentyl)-4-methylsulfonylbenzimidazol-2-amine?
The IUPAC name of 1-(3,3-dimethylcyclopentyl)-4-methylsulfonylbenzimidazol-2-amine (CID 114548406) is 1-(3,3-dimethylcyclopentyl)-4-methylsulfonylbenzimidazol-2-amine.
What is the SMILES notation for 1-(3,3-dimethylcyclopentyl)-4-methylsulfonylbenzimidazol-2-amine?
The canonical SMILES for 1-(3,3-dimethylcyclopentyl)-4-methylsulfonylbenzimidazol-2-amine is CC1(C)CCC(n2c(N)nc3c(S(C)(=O)=O)cccc32)C1.
What is the InChIKey of 1-(3,3-dimethylcyclopentyl)-4-methylsulfonylbenzimidazol-2-amine?
The InChIKey is IJQNQWNXHVEYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-15(2)8-7-10(9-15)18-11-5-4-6-12(21(3,19)20)13(11)17-14(18)16/h4-6,10H,7-9H2,1-3H3,(H2,16,17).
What are the key properties of 1-(3,3-dimethylcyclopentyl)-4-methylsulfonylbenzimidazol-2-amine?
1-(3,3-dimethylcyclopentyl)-4-methylsulfonylbenzimidazol-2-amine has a molecular weight of 307.42 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylcyclopentyl)-4-methylsulfonylbenzimidazol-2-amine is sourced from PubChem (CID 114548406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).