phenyl-[2-(3,4,5-trimethoxyphenyl)-2,3-dihydrobenzimidazol-1-yl]methanone

C23H22N2O4 — CID 23735368

IUPACphenyl-[2-(3,4,5-trimethoxyphenyl)-2,3-dihydrobenzimidazol-1-yl]methanone
SMILESCOc1cc(C2Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C23H22N2O4/c1-27-19-13-16(14-20(28-2)21(19)29-3)22-24-17-11-7-8-12-18(17)25(22)23(26)15-9-5-4-6-10-15/h4-14,22,24H,1-3H3
InChIKeyQMPRQMSAHQFPLX-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.48
Rot. Bonds5

About phenyl-[2-(3,4,5-trimethoxyphenyl)-2,3-dihydrobenzimidazol-1-yl]methanone

phenyl-[2-(3,4,5-trimethoxyphenyl)-2,3-dihydrobenzimidazol-1-yl]methanone (PubChem CID 23735368) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is phenyl-[2-(3,4,5-trimethoxyphenyl)-2,3-dihydrobenzimidazol-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[2-(3,4,5-trimethoxyphenyl)-2,3-dihydrobenzimidazol-1-yl]methanone
PubChem CID23735368
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Namephenyl-[2-(3,4,5-trimethoxyphenyl)-2,3-dihydrobenzimidazol-1-yl]methanone
SMILESCOc1cc(C2Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C23H22N2O4/c1-27-19-13-16(14-20(28-2)21(19)29-3)22-24-17-11-7-8-12-18(17)25(22)23(26)15-9-5-4-6-10-15/h4-14,22,24H,1-3H3
InChIKeyQMPRQMSAHQFPLX-UHFFFAOYSA-N
XLogP4.48
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(3,4,5-trimethoxyphenyl)-2,3-dihydrobenzimidazol-1-yl]methanone?
The IUPAC name of phenyl-[2-(3,4,5-trimethoxyphenyl)-2,3-dihydrobenzimidazol-1-yl]methanone (CID 23735368) is phenyl-[2-(3,4,5-trimethoxyphenyl)-2,3-dihydrobenzimidazol-1-yl]methanone.
What is the SMILES notation for phenyl-[2-(3,4,5-trimethoxyphenyl)-2,3-dihydrobenzimidazol-1-yl]methanone?
The canonical SMILES for phenyl-[2-(3,4,5-trimethoxyphenyl)-2,3-dihydrobenzimidazol-1-yl]methanone is COc1cc(C2Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of phenyl-[2-(3,4,5-trimethoxyphenyl)-2,3-dihydrobenzimidazol-1-yl]methanone?
The InChIKey is QMPRQMSAHQFPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-27-19-13-16(14-20(28-2)21(19)29-3)22-24-17-11-7-8-12-18(17)25(22)23(26)15-9-5-4-6-10-15/h4-14,22,24H,1-3H3.
What are the key properties of phenyl-[2-(3,4,5-trimethoxyphenyl)-2,3-dihydrobenzimidazol-1-yl]methanone?
phenyl-[2-(3,4,5-trimethoxyphenyl)-2,3-dihydrobenzimidazol-1-yl]methanone has a molecular weight of 390.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(3,4,5-trimethoxyphenyl)-2,3-dihydrobenzimidazol-1-yl]methanone is sourced from PubChem (CID 23735368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).