3,3-dimethyl-5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pentan-1-amine

C15H23N3O2S — CID 82000575

IUPAC3,3-dimethyl-5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pentan-1-amine
SMILESCC(C)(CCN)CCc1nc2c(S(C)(=O)=O)cccc2[nH]1
InChIInChI=1S/C15H23N3O2S/c1-15(2,9-10-16)8-7-13-17-11-5-4-6-12(14(11)18-13)21(3,19)20/h4-6H,7-10,16H2,1-3H3,(H,17,18)
InChIKeyBZPOGIWUQJVSTR-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.27
Rot. Bonds6

About 3,3-dimethyl-5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pentan-1-amine

3,3-dimethyl-5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pentan-1-amine (PubChem CID 82000575) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is 3,3-dimethyl-5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pentan-1-amine
PubChem CID82000575
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name3,3-dimethyl-5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pentan-1-amine
SMILESCC(C)(CCN)CCc1nc2c(S(C)(=O)=O)cccc2[nH]1
InChIInChI=1S/C15H23N3O2S/c1-15(2,9-10-16)8-7-13-17-11-5-4-6-12(14(11)18-13)21(3,19)20/h4-6H,7-10,16H2,1-3H3,(H,17,18)
InChIKeyBZPOGIWUQJVSTR-UHFFFAOYSA-N
XLogP2.27
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,3-dimethyl-5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pentan-1-amine?
The IUPAC name of 3,3-dimethyl-5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pentan-1-amine (CID 82000575) is 3,3-dimethyl-5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pentan-1-amine?
The canonical SMILES for 3,3-dimethyl-5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pentan-1-amine is CC(C)(CCN)CCc1nc2c(S(C)(=O)=O)cccc2[nH]1.
What is the InChIKey of 3,3-dimethyl-5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pentan-1-amine?
The InChIKey is BZPOGIWUQJVSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-15(2,9-10-16)8-7-13-17-11-5-4-6-12(14(11)18-13)21(3,19)20/h4-6H,7-10,16H2,1-3H3,(H,17,18).
What are the key properties of 3,3-dimethyl-5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pentan-1-amine?
3,3-dimethyl-5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pentan-1-amine has a molecular weight of 309.43 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pentan-1-amine is sourced from PubChem (CID 82000575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).