[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanamine

C21H20N4O — CID 12001227

IUPAC[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanamine
SMILESNCc1ccc2c(c1)ncn2-c1cccc(COCc2ccccn2)c1
InChIInChI=1S/C21H20N4O/c22-12-16-7-8-21-20(11-16)24-15-25(21)19-6-3-4-17(10-19)13-26-14-18-5-1-2-9-23-18/h1-11,15H,12-14,22H2
InChIKeyWESMYIGWOQIIGF-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.60
Rot. Bonds6

About [1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanamine

[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanamine (PubChem CID 12001227) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is [1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanamine
PubChem CID12001227
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanamine
SMILESNCc1ccc2c(c1)ncn2-c1cccc(COCc2ccccn2)c1
InChIInChI=1S/C21H20N4O/c22-12-16-7-8-21-20(11-16)24-15-25(21)19-6-3-4-17(10-19)13-26-14-18-5-1-2-9-23-18/h1-11,15H,12-14,22H2
InChIKeyWESMYIGWOQIIGF-UHFFFAOYSA-N
XLogP3.60
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanamine?
The IUPAC name of [1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanamine (CID 12001227) is [1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanamine.
What is the SMILES notation for [1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanamine?
The canonical SMILES for [1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanamine is NCc1ccc2c(c1)ncn2-c1cccc(COCc2ccccn2)c1.
What is the InChIKey of [1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanamine?
The InChIKey is WESMYIGWOQIIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c22-12-16-7-8-21-20(11-16)24-15-25(21)19-6-3-4-17(10-19)13-26-14-18-5-1-2-9-23-18/h1-11,15H,12-14,22H2.
What are the key properties of [1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanamine?
[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanamine has a molecular weight of 344.42 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanamine is sourced from PubChem (CID 12001227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).