1-[1-[3-(2-methoxy-3-pyridinyl)phenyl]benzimidazol-5-yl]ethanone

C21H17N3O2 — CID 67152246

IUPAC1-[1-[3-(2-methoxy-3-pyridinyl)phenyl]benzimidazol-5-yl]ethanone
SMILESCOc1ncccc1-c1cccc(-n2cnc3cc(C(C)=O)ccc32)c1
InChIInChI=1S/C21H17N3O2/c1-14(25)15-8-9-20-19(12-15)23-13-24(20)17-6-3-5-16(11-17)18-7-4-10-22-21(18)26-2/h3-13H,1-2H3
InChIKeyTZDJKRWHAPXDSU-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.30
Rot. Bonds4

About 1-[1-[3-(2-methoxy-3-pyridinyl)phenyl]benzimidazol-5-yl]ethanone

1-[1-[3-(2-methoxy-3-pyridinyl)phenyl]benzimidazol-5-yl]ethanone (PubChem CID 67152246) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[1-[3-(2-methoxy-3-pyridinyl)phenyl]benzimidazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-(2-methoxy-3-pyridinyl)phenyl]benzimidazol-5-yl]ethanone
PubChem CID67152246
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name1-[1-[3-(2-methoxy-3-pyridinyl)phenyl]benzimidazol-5-yl]ethanone
SMILESCOc1ncccc1-c1cccc(-n2cnc3cc(C(C)=O)ccc32)c1
InChIInChI=1S/C21H17N3O2/c1-14(25)15-8-9-20-19(12-15)23-13-24(20)17-6-3-5-16(11-17)18-7-4-10-22-21(18)26-2/h3-13H,1-2H3
InChIKeyTZDJKRWHAPXDSU-UHFFFAOYSA-N
XLogP4.30
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2-methoxy-3-pyridinyl)phenyl]benzimidazol-5-yl]ethanone?
The IUPAC name of 1-[1-[3-(2-methoxy-3-pyridinyl)phenyl]benzimidazol-5-yl]ethanone (CID 67152246) is 1-[1-[3-(2-methoxy-3-pyridinyl)phenyl]benzimidazol-5-yl]ethanone.
What is the SMILES notation for 1-[1-[3-(2-methoxy-3-pyridinyl)phenyl]benzimidazol-5-yl]ethanone?
The canonical SMILES for 1-[1-[3-(2-methoxy-3-pyridinyl)phenyl]benzimidazol-5-yl]ethanone is COc1ncccc1-c1cccc(-n2cnc3cc(C(C)=O)ccc32)c1.
What is the InChIKey of 1-[1-[3-(2-methoxy-3-pyridinyl)phenyl]benzimidazol-5-yl]ethanone?
The InChIKey is TZDJKRWHAPXDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-14(25)15-8-9-20-19(12-15)23-13-24(20)17-6-3-5-16(11-17)18-7-4-10-22-21(18)26-2/h3-13H,1-2H3.
What are the key properties of 1-[1-[3-(2-methoxy-3-pyridinyl)phenyl]benzimidazol-5-yl]ethanone?
1-[1-[3-(2-methoxy-3-pyridinyl)phenyl]benzimidazol-5-yl]ethanone has a molecular weight of 343.39 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2-methoxy-3-pyridinyl)phenyl]benzimidazol-5-yl]ethanone is sourced from PubChem (CID 67152246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).