1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide

C15H16N4O2 — CID 69161890

IUPAC1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(-n3ccnc3)cc2)C1
InChIInChI=1S/C15H16N4O2/c16-14(20)12-5-7-18(9-12)15(21)11-1-3-13(4-2-11)19-8-6-17-10-19/h1-4,6,8,10,12H,5,7,9H2,(H2,16,20)
InChIKeyWNJSCADJCZWZMQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.82
Rot. Bonds3

About 1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide

1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide (PubChem CID 69161890) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide
PubChem CID69161890
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(-n3ccnc3)cc2)C1
InChIInChI=1S/C15H16N4O2/c16-14(20)12-5-7-18(9-12)15(21)11-1-3-13(4-2-11)19-8-6-17-10-19/h1-4,6,8,10,12H,5,7,9H2,(H2,16,20)
InChIKeyWNJSCADJCZWZMQ-UHFFFAOYSA-N
XLogP0.82
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 110464231
azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 166196826
(4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119490395
1-(4-imidazol-1-yl-3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
CID 92576980
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-imidazol-1-ylphenyl)methanone
CID 111561042
(3R)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125134650
[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(4-imidazol-1-ylphenyl)methanone
CID 72696904
(4-imidazol-1-ylphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 167941167
(4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 47159866
1-(6-imidazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxamide
CID 121113995
1-[4-(3-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxamide
CID 71895515
(4-imidazol-1-ylphenyl)-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 70777670

Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide (CID 69161890) is 1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide is NC(=O)C1CCN(C(=O)c2ccc(-n3ccnc3)cc2)C1.
What is the InChIKey of 1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide?
The InChIKey is WNJSCADJCZWZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c16-14(20)12-5-7-18(9-12)15(21)11-1-3-13(4-2-11)19-8-6-17-10-19/h1-4,6,8,10,12H,5,7,9H2,(H2,16,20).
What are the key properties of 1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide?
1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 69161890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).