1-(3-methoxy-2-phenylbenzimidazol-5-yl)ethanone

C16H14N2O2 — CID 124908293

IUPAC1-(3-methoxy-2-phenylbenzimidazol-5-yl)ethanone
SMILESCOn1c(-c2ccccc2)nc2ccc(C(C)=O)cc21
InChIInChI=1S/C16H14N2O2/c1-11(19)13-8-9-14-15(10-13)18(20-2)16(17-14)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyMPMCEASMLWEIBA-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.96
Rot. Bonds3

About 1-(3-methoxy-2-phenylbenzimidazol-5-yl)ethanone

1-(3-methoxy-2-phenylbenzimidazol-5-yl)ethanone (PubChem CID 124908293) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(3-methoxy-2-phenylbenzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-methoxy-2-phenylbenzimidazol-5-yl)ethanone
PubChem CID124908293
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1-(3-methoxy-2-phenylbenzimidazol-5-yl)ethanone
SMILESCOn1c(-c2ccccc2)nc2ccc(C(C)=O)cc21
InChIInChI=1S/C16H14N2O2/c1-11(19)13-8-9-14-15(10-13)18(20-2)16(17-14)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyMPMCEASMLWEIBA-UHFFFAOYSA-N
XLogP2.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-phenylbenzimidazol-5-yl)ethanone?
The IUPAC name of 1-(3-methoxy-2-phenylbenzimidazol-5-yl)ethanone (CID 124908293) is 1-(3-methoxy-2-phenylbenzimidazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-methoxy-2-phenylbenzimidazol-5-yl)ethanone?
The canonical SMILES for 1-(3-methoxy-2-phenylbenzimidazol-5-yl)ethanone is COn1c(-c2ccccc2)nc2ccc(C(C)=O)cc21.
What is the InChIKey of 1-(3-methoxy-2-phenylbenzimidazol-5-yl)ethanone?
The InChIKey is MPMCEASMLWEIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11(19)13-8-9-14-15(10-13)18(20-2)16(17-14)12-6-4-3-5-7-12/h3-10H,1-2H3.
What are the key properties of 1-(3-methoxy-2-phenylbenzimidazol-5-yl)ethanone?
1-(3-methoxy-2-phenylbenzimidazol-5-yl)ethanone has a molecular weight of 266.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-phenylbenzimidazol-5-yl)ethanone is sourced from PubChem (CID 124908293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).