N-methoxy-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine

C21H20N4O — CID 11983443

IUPACN-methoxy-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine
SMILESCONC(C)c1ccc2c(c1)ncn2-c1cccc(-c2cccnc2)c1
InChIInChI=1S/C21H20N4O/c1-15(24-26-2)16-8-9-21-20(12-16)23-14-25(21)19-7-3-5-17(11-19)18-6-4-10-22-13-18/h3-15,24H,1-2H3
InChIKeyWSERYBZHBJHRSL-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.30
Rot. Bonds5

About N-methoxy-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine

N-methoxy-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine (PubChem CID 11983443) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-methoxy-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methoxy-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine
PubChem CID11983443
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC NameN-methoxy-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine
SMILESCONC(C)c1ccc2c(c1)ncn2-c1cccc(-c2cccnc2)c1
InChIInChI=1S/C21H20N4O/c1-15(24-26-2)16-8-9-21-20(12-16)23-14-25(21)19-7-3-5-17(11-19)18-6-4-10-22-13-18/h3-15,24H,1-2H3
InChIKeyWSERYBZHBJHRSL-UHFFFAOYSA-N
XLogP4.30
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine?
The IUPAC name of N-methoxy-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine (CID 11983443) is N-methoxy-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine.
What is the SMILES notation for N-methoxy-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine?
The canonical SMILES for N-methoxy-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine is CONC(C)c1ccc2c(c1)ncn2-c1cccc(-c2cccnc2)c1.
What is the InChIKey of N-methoxy-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine?
The InChIKey is WSERYBZHBJHRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-15(24-26-2)16-8-9-21-20(12-16)23-14-25(21)19-7-3-5-17(11-19)18-6-4-10-22-13-18/h3-15,24H,1-2H3.
What are the key properties of N-methoxy-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine?
N-methoxy-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine has a molecular weight of 344.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine is sourced from PubChem (CID 11983443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).