bis[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone

C25H24N2O — CID 146425021

IUPACbis[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone
SMILESCc1ccc(C)n1-c1ccc(C(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1
InChIInChI=1S/C25H24N2O/c1-17-5-6-18(2)26(17)23-13-9-21(10-14-23)25(28)22-11-15-24(16-12-22)27-19(3)7-8-20(27)4/h5-16H,1-4H3
InChIKeyJGLWAZNWRPASCH-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.73
Rot. Bonds4

About bis[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone

bis[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone (PubChem CID 146425021) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is bis[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone.

Molecular Properties

Compound Namebis[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone
PubChem CID146425021
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Namebis[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone
SMILESCc1ccc(C)n1-c1ccc(C(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1
InChIInChI=1S/C25H24N2O/c1-17-5-6-18(2)26(17)23-13-9-21(10-14-23)25(28)22-11-15-24(16-12-22)27-19(3)7-8-20(27)4/h5-16H,1-4H3
InChIKeyJGLWAZNWRPASCH-UHFFFAOYSA-N
XLogP5.73
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-dimethylpyrrol-1-yl)-N,N-diethylbenzamide
CID 78777192
4-(2,5-dimethylpyrrol-1-yl)-N-propan-2-ylbenzamide
CID 41360035
1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4,4,4-trifluorobutane-1,3-dione
CID 22316848
1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propan-2-one
CID 146002630
4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 2576736
[(2S)-1-amino-1-oxopropan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7275011
4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide
CID 30281157
N-cyclopropyl-2-[2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinyl]-2-oxoacetamide
CID 134008259
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone
CID 34280429
1-(4-bromophenyl)-2,5-dimethylpyrrole
CID 2739609
4-(2,5-dimethylpyrrol-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 41337865
4-(2,5-dimethylpyrrol-1-yl)-N'-[1-(1H-pyrrol-2-yl)ethenyl]benzohydrazide
CID 2348439

Frequently Asked Questions

What is the IUPAC name of bis[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone?
The IUPAC name of bis[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone (CID 146425021) is bis[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone.
What is the SMILES notation for bis[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone?
The canonical SMILES for bis[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone is Cc1ccc(C)n1-c1ccc(C(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1.
What is the InChIKey of bis[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone?
The InChIKey is JGLWAZNWRPASCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-17-5-6-18(2)26(17)23-13-9-21(10-14-23)25(28)22-11-15-24(16-12-22)27-19(3)7-8-20(27)4/h5-16H,1-4H3.
What are the key properties of bis[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone?
bis[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone has a molecular weight of 368.48 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone is sourced from PubChem (CID 146425021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).