[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-imidazol-1-ylmethanone

C17H17N3O — CID 95927975

IUPAC[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-imidazol-1-ylmethanone
SMILESCc1ccccc1-n1c(C)cc(C(=O)n2ccnc2)c1C
InChIInChI=1S/C17H17N3O/c1-12-6-4-5-7-16(12)20-13(2)10-15(14(20)3)17(21)19-9-8-18-11-19/h4-11H,1-3H3
InChIKeyGWKRNWGLZBBBOL-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.29
Rot. Bonds2

About [2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-imidazol-1-ylmethanone

[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-imidazol-1-ylmethanone (PubChem CID 95927975) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is [2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-imidazol-1-ylmethanone
PubChem CID95927975
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-imidazol-1-ylmethanone
SMILESCc1ccccc1-n1c(C)cc(C(=O)n2ccnc2)c1C
InChIInChI=1S/C17H17N3O/c1-12-6-4-5-7-16(12)20-13(2)10-15(14(20)3)17(21)19-9-8-18-11-19/h4-11H,1-3H3
InChIKeyGWKRNWGLZBBBOL-UHFFFAOYSA-N
XLogP3.29
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate
CID 94788727
imidazol-1-yl-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118869797
[(3R)-3-aminopyrrolidin-1-yl]-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methanone
CID 119413144
imidazol-1-yl-(2-methyl-3-pyridinyl)methanone
CID 66563654
6-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514633
[(3R)-3-aminopyrrolidin-1-yl]-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methanone;hydrochloride
CID 119413143
N-ethyl-N-(2-hydroxyethyl)-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide
CID 78855060
[2-(dimethylamino)phenyl]-imidazol-1-ylmethanone
CID 110463462
(3-chloro-2-methylphenyl)-imidazol-1-ylmethanone
CID 110463733
N-(2-acetamidoethyl)-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide
CID 167775581
1-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone
CID 53355380
2,5-dimethyl-1-(2-methylphenyl)-N-[2-(pyrazin-2-ylamino)ethyl]pyrrole-3-carboxamide
CID 51125389

Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-imidazol-1-ylmethanone?
The IUPAC name of [2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-imidazol-1-ylmethanone (CID 95927975) is [2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-imidazol-1-ylmethanone.
What is the SMILES notation for [2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-imidazol-1-ylmethanone?
The canonical SMILES for [2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-imidazol-1-ylmethanone is Cc1ccccc1-n1c(C)cc(C(=O)n2ccnc2)c1C.
What is the InChIKey of [2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-imidazol-1-ylmethanone?
The InChIKey is GWKRNWGLZBBBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-6-4-5-7-16(12)20-13(2)10-15(14(20)3)17(21)19-9-8-18-11-19/h4-11H,1-3H3.
What are the key properties of [2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-imidazol-1-ylmethanone?
[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-imidazol-1-ylmethanone has a molecular weight of 279.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-imidazol-1-ylmethanone is sourced from PubChem (CID 95927975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).