[2-(phenoxymethyl)benzimidazol-1-yl]-pyridin-3-ylmethanone

C20H15N3O2 — CID 19256672

IUPAC[2-(phenoxymethyl)benzimidazol-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)n1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C20H15N3O2/c24-20(15-7-6-12-21-13-15)23-18-11-5-4-10-17(18)22-19(23)14-25-16-8-2-1-3-9-16/h1-13H,14H2
InChIKeyIVCMDNWIQWCYJV-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.70
Rot. Bonds4

About [2-(phenoxymethyl)benzimidazol-1-yl]-pyridin-3-ylmethanone

[2-(phenoxymethyl)benzimidazol-1-yl]-pyridin-3-ylmethanone (PubChem CID 19256672) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is [2-(phenoxymethyl)benzimidazol-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-(phenoxymethyl)benzimidazol-1-yl]-pyridin-3-ylmethanone
PubChem CID19256672
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name[2-(phenoxymethyl)benzimidazol-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)n1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C20H15N3O2/c24-20(15-7-6-12-21-13-15)23-18-11-5-4-10-17(18)22-19(23)14-25-16-8-2-1-3-9-16/h1-13H,14H2
InChIKeyIVCMDNWIQWCYJV-UHFFFAOYSA-N
XLogP3.70
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(phenoxymethyl)benzimidazol-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-(phenoxymethyl)benzimidazol-1-yl]-pyridin-3-ylmethanone (CID 19256672) is [2-(phenoxymethyl)benzimidazol-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-(phenoxymethyl)benzimidazol-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-(phenoxymethyl)benzimidazol-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)n1c(COc2ccccc2)nc2ccccc21.
What is the InChIKey of [2-(phenoxymethyl)benzimidazol-1-yl]-pyridin-3-ylmethanone?
The InChIKey is IVCMDNWIQWCYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-20(15-7-6-12-21-13-15)23-18-11-5-4-10-17(18)22-19(23)14-25-16-8-2-1-3-9-16/h1-13H,14H2.
What are the key properties of [2-(phenoxymethyl)benzimidazol-1-yl]-pyridin-3-ylmethanone?
[2-(phenoxymethyl)benzimidazol-1-yl]-pyridin-3-ylmethanone has a molecular weight of 329.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phenoxymethyl)benzimidazol-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 19256672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).