4-imidazol-1-yl-N-methyl-3-pyrrol-1-ylbenzamide

C15H14N4O — CID 46954834

IUPAC4-imidazol-1-yl-N-methyl-3-pyrrol-1-ylbenzamide
SMILESCNC(=O)c1ccc(-n2ccnc2)c(-n2cccc2)c1
InChIInChI=1S/C15H14N4O/c1-16-15(20)12-4-5-13(19-9-6-17-11-19)14(10-12)18-7-2-3-8-18/h2-11H,1H3,(H,16,20)
InChIKeyDLQDUWZOPUQAQQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.02
Rot. Bonds3

About 4-imidazol-1-yl-N-methyl-3-pyrrol-1-ylbenzamide

4-imidazol-1-yl-N-methyl-3-pyrrol-1-ylbenzamide (PubChem CID 46954834) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-methyl-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-methyl-3-pyrrol-1-ylbenzamide
PubChem CID46954834
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name4-imidazol-1-yl-N-methyl-3-pyrrol-1-ylbenzamide
SMILESCNC(=O)c1ccc(-n2ccnc2)c(-n2cccc2)c1
InChIInChI=1S/C15H14N4O/c1-16-15(20)12-4-5-13(19-9-6-17-11-19)14(10-12)18-7-2-3-8-18/h2-11H,1H3,(H,16,20)
InChIKeyDLQDUWZOPUQAQQ-UHFFFAOYSA-N
XLogP2.02
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide
CID 92576982
N-[1-(furan-2-yl)ethyl]-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide
CID 110223551
1-(4-imidazol-1-yl-3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
CID 92576980
ethane;6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 142231779
3-[(4-imidazol-1-yl-3-nitrobenzoyl)amino]-N,2-dimethylbenzamide
CID 46454270
4-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]-N-methyl-3-nitrobenzamide
CID 47983181
4-[(5-imidazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methylbenzamide
CID 59276323
N-ethyl-3-imidazol-1-yl-4-nitrobenzamide
CID 82989026
4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide
CID 138041303
3-ethyl-4-imidazol-1-ylbenzoic acid
CID 84681695
4-imidazol-1-yl-N-(4-methylphenyl)-3-nitrobenzamide
CID 26086024
4-bromo-3-imidazol-1-ylbenzoic acid
CID 84711748

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-methyl-3-pyrrol-1-ylbenzamide?
The IUPAC name of 4-imidazol-1-yl-N-methyl-3-pyrrol-1-ylbenzamide (CID 46954834) is 4-imidazol-1-yl-N-methyl-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for 4-imidazol-1-yl-N-methyl-3-pyrrol-1-ylbenzamide?
The canonical SMILES for 4-imidazol-1-yl-N-methyl-3-pyrrol-1-ylbenzamide is CNC(=O)c1ccc(-n2ccnc2)c(-n2cccc2)c1.
What is the InChIKey of 4-imidazol-1-yl-N-methyl-3-pyrrol-1-ylbenzamide?
The InChIKey is DLQDUWZOPUQAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-16-15(20)12-4-5-13(19-9-6-17-11-19)14(10-12)18-7-2-3-8-18/h2-11H,1H3,(H,16,20).
What are the key properties of 4-imidazol-1-yl-N-methyl-3-pyrrol-1-ylbenzamide?
4-imidazol-1-yl-N-methyl-3-pyrrol-1-ylbenzamide has a molecular weight of 266.30 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-methyl-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 46954834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).