2-(1-methylbenzimidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanone

C19H20N2O4 — CID 4962804

IUPAC2-(1-methylbenzimidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(C(=O)Cc2nc3ccccc3n2C)cc(OC)c1OC
InChIInChI=1S/C19H20N2O4/c1-21-14-8-6-5-7-13(14)20-18(21)11-15(22)12-9-16(23-2)19(25-4)17(10-12)24-3/h5-10H,11H2,1-4H3
InChIKeyBJTHPPJDULAITE-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.02
Rot. Bonds6

About 2-(1-methylbenzimidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanone

2-(1-methylbenzimidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanone (PubChem CID 4962804) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
PubChem CID4962804
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-(1-methylbenzimidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(C(=O)Cc2nc3ccccc3n2C)cc(OC)c1OC
InChIInChI=1S/C19H20N2O4/c1-21-14-8-6-5-7-13(14)20-18(21)11-15(22)12-9-16(23-2)19(25-4)17(10-12)24-3/h5-10H,11H2,1-4H3
InChIKeyBJTHPPJDULAITE-UHFFFAOYSA-N
XLogP3.02
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanone?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanone (CID 4962804) is 2-(1-methylbenzimidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanone?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanone is COc1cc(C(=O)Cc2nc3ccccc3n2C)cc(OC)c1OC.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanone?
The InChIKey is BJTHPPJDULAITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-21-14-8-6-5-7-13(14)20-18(21)11-15(22)12-9-16(23-2)19(25-4)17(10-12)24-3/h5-10H,11H2,1-4H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanone?
2-(1-methylbenzimidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanone has a molecular weight of 340.38 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanone is sourced from PubChem (CID 4962804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).