2-[(3,5-dimethylpiperidin-1-yl)methyl]-3H-benzimidazol-5-amine

C15H22N4 — CID 43375659

IUPAC2-[(3,5-dimethylpiperidin-1-yl)methyl]-3H-benzimidazol-5-amine
SMILESCC1CC(C)CN(Cc2nc3ccc(N)cc3[nH]2)C1
InChIInChI=1S/C15H22N4/c1-10-5-11(2)8-19(7-10)9-15-17-13-4-3-12(16)6-14(13)18-15/h3-4,6,10-11H,5,7-9,16H2,1-2H3,(H,17,18)
InChIKeyGKQLXPGEYUAYSA-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.62
Rot. Bonds2

About 2-[(3,5-dimethylpiperidin-1-yl)methyl]-3H-benzimidazol-5-amine

2-[(3,5-dimethylpiperidin-1-yl)methyl]-3H-benzimidazol-5-amine (PubChem CID 43375659) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[(3,5-dimethylpiperidin-1-yl)methyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[(3,5-dimethylpiperidin-1-yl)methyl]-3H-benzimidazol-5-amine
PubChem CID43375659
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-[(3,5-dimethylpiperidin-1-yl)methyl]-3H-benzimidazol-5-amine
SMILESCC1CC(C)CN(Cc2nc3ccc(N)cc3[nH]2)C1
InChIInChI=1S/C15H22N4/c1-10-5-11(2)8-19(7-10)9-15-17-13-4-3-12(16)6-14(13)18-15/h3-4,6,10-11H,5,7-9,16H2,1-2H3,(H,17,18)
InChIKeyGKQLXPGEYUAYSA-UHFFFAOYSA-N
XLogP2.62
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-3H-benzimidazol-5-amine (CID 43375659) is 2-[(3,5-dimethylpiperidin-1-yl)methyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-3H-benzimidazol-5-amine is CC1CC(C)CN(Cc2nc3ccc(N)cc3[nH]2)C1.
What is the InChIKey of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-3H-benzimidazol-5-amine?
The InChIKey is GKQLXPGEYUAYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-10-5-11(2)8-19(7-10)9-15-17-13-4-3-12(16)6-14(13)18-15/h3-4,6,10-11H,5,7-9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-3H-benzimidazol-5-amine?
2-[(3,5-dimethylpiperidin-1-yl)methyl]-3H-benzimidazol-5-amine has a molecular weight of 258.37 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 43375659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).