5-[7-ethoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]-N,N-diethylpyridin-2-amine

C23H28N6O — CID 166631766

IUPAC5-[7-ethoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]-N,N-diethylpyridin-2-amine
SMILESCCOc1cccc2nc(-c3ccc(N(CC)CC)nc3)n(Cc3ccn(C)n3)c12
InChIInChI=1S/C23H28N6O/c1-5-28(6-2)21-12-11-17(15-24-21)23-25-19-9-8-10-20(30-7-3)22(19)29(23)16-18-13-14-27(4)26-18/h8-15H,5-7,16H2,1-4H3
InChIKeyMWSHMZWFRLFDDM-UHFFFAOYSA-N
MW404.52 g/mol
LogP4.12
Rot. Bonds8

About 5-[7-ethoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]-N,N-diethylpyridin-2-amine

5-[7-ethoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]-N,N-diethylpyridin-2-amine (PubChem CID 166631766) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 5-[7-ethoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]-N,N-diethylpyridin-2-amine.

Molecular Properties

Compound Name5-[7-ethoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]-N,N-diethylpyridin-2-amine
PubChem CID166631766
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name5-[7-ethoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]-N,N-diethylpyridin-2-amine
SMILESCCOc1cccc2nc(-c3ccc(N(CC)CC)nc3)n(Cc3ccn(C)n3)c12
InChIInChI=1S/C23H28N6O/c1-5-28(6-2)21-12-11-17(15-24-21)23-25-19-9-8-10-20(30-7-3)22(19)29(23)16-18-13-14-27(4)26-18/h8-15H,5-7,16H2,1-4H3
InChIKeyMWSHMZWFRLFDDM-UHFFFAOYSA-N
XLogP4.12
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[7-ethoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]-N,N-diethylpyridin-2-amine?
The IUPAC name of 5-[7-ethoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]-N,N-diethylpyridin-2-amine (CID 166631766) is 5-[7-ethoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]-N,N-diethylpyridin-2-amine.
What is the SMILES notation for 5-[7-ethoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]-N,N-diethylpyridin-2-amine?
The canonical SMILES for 5-[7-ethoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]-N,N-diethylpyridin-2-amine is CCOc1cccc2nc(-c3ccc(N(CC)CC)nc3)n(Cc3ccn(C)n3)c12.
What is the InChIKey of 5-[7-ethoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]-N,N-diethylpyridin-2-amine?
The InChIKey is MWSHMZWFRLFDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-5-28(6-2)21-12-11-17(15-24-21)23-25-19-9-8-10-20(30-7-3)22(19)29(23)16-18-13-14-27(4)26-18/h8-15H,5-7,16H2,1-4H3.
What are the key properties of 5-[7-ethoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]-N,N-diethylpyridin-2-amine?
5-[7-ethoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]-N,N-diethylpyridin-2-amine has a molecular weight of 404.52 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-ethoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]-N,N-diethylpyridin-2-amine is sourced from PubChem (CID 166631766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).