4-[2-(1,3-dimethylbenzimidazol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one

C17H16N2O — CID 101346222

IUPAC4-[2-(1,3-dimethylbenzimidazol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
SMILESCN1C(=CC=C2C=CC(=O)C=C2)N(C)c2ccccc21
InChIInChI=1S/C17H16N2O/c1-18-15-5-3-4-6-16(15)19(2)17(18)12-9-13-7-10-14(20)11-8-13/h3-12H,1-2H3
InChIKeyNDFUPGPMGYEIGP-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.04
Rot. Bonds1

About 4-[2-(1,3-dimethylbenzimidazol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one

4-[2-(1,3-dimethylbenzimidazol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one (PubChem CID 101346222) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[2-(1,3-dimethylbenzimidazol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-[2-(1,3-dimethylbenzimidazol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
PubChem CID101346222
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-[2-(1,3-dimethylbenzimidazol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
SMILESCN1C(=CC=C2C=CC(=O)C=C2)N(C)c2ccccc21
InChIInChI=1S/C17H16N2O/c1-18-15-5-3-4-6-16(15)19(2)17(18)12-9-13-7-10-14(20)11-8-13/h3-12H,1-2H3
InChIKeyNDFUPGPMGYEIGP-UHFFFAOYSA-N
XLogP3.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(1-methylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 101385220
ethane;4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 91278460
10-methyl-3-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]acridine-9-carboxylic acid
CID 154266016
4-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 58082024
4-[2-(1-octadecylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 100982111
1,3-dimethyl-2-(nitrosomethylidene)benzimidazole;hydroiodide
CID 138398585
4-[2-(1-methyl-1H-quinolin-1-ium-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 101385219
5-[2-(1,3-dimethylbenzimidazol-2-ylidene)ethylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 76662131
3-(difluoromethyl)-1,4-dimethyl-3H-quinoxalin-2-one
CID 164577895
1,3,3,4-tetramethylquinoxalin-2-one
CID 121015533
4-[2-[1-[13-[13-[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-1-pyridinyl]tridecyldisulfanyl]tridecyl]-4-pyridinylidene]ethylidene]cyclohexa-2,5-dien-1-one
CID 101091301
4-[[(2E)-3,3-dimethyl-2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]indol-1-yl]methyl]benzoate
CID 132522449

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-dimethylbenzimidazol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one?
The IUPAC name of 4-[2-(1,3-dimethylbenzimidazol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one (CID 101346222) is 4-[2-(1,3-dimethylbenzimidazol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-[2-(1,3-dimethylbenzimidazol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-[2-(1,3-dimethylbenzimidazol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one is CN1C(=CC=C2C=CC(=O)C=C2)N(C)c2ccccc21.
What is the InChIKey of 4-[2-(1,3-dimethylbenzimidazol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one?
The InChIKey is NDFUPGPMGYEIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-18-15-5-3-4-6-16(15)19(2)17(18)12-9-13-7-10-14(20)11-8-13/h3-12H,1-2H3.
What are the key properties of 4-[2-(1,3-dimethylbenzimidazol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one?
4-[2-(1,3-dimethylbenzimidazol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one has a molecular weight of 264.33 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-dimethylbenzimidazol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 101346222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).