3-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]imidazole-4-carboxamide

C21H20N4O2 — CID 37294346

IUPAC3-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]imidazole-4-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cncn1-c1ccccc1
InChIInChI=1S/C21H20N4O2/c26-20(19-14-22-15-25(19)18-6-2-1-3-7-18)23-17-10-8-16(9-11-17)21(27)24-12-4-5-13-24/h1-3,6-11,14-15H,4-5,12-13H2,(H,23,26)
InChIKeyWEQOOXOQMUWGRF-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.36
Rot. Bonds4

About 3-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]imidazole-4-carboxamide

3-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]imidazole-4-carboxamide (PubChem CID 37294346) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]imidazole-4-carboxamide
PubChem CID37294346
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name3-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]imidazole-4-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cncn1-c1ccccc1
InChIInChI=1S/C21H20N4O2/c26-20(19-14-22-15-25(19)18-6-2-1-3-7-18)23-17-10-8-16(9-11-17)21(27)24-12-4-5-13-24/h1-3,6-11,14-15H,4-5,12-13H2,(H,23,26)
InChIKeyWEQOOXOQMUWGRF-UHFFFAOYSA-N
XLogP3.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-(3-phenylimidazol-4-yl)methanone
CID 60653934
[1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286851
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532549
N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 17199064
N-(3-methylphenyl)-3-phenylimidazole-4-carboxamide
CID 27166887
(4-methyl-1,4-diazepan-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 78795753
4-phenoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532346
1-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide
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6-[[4-(azepane-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119181942

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of 3-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]imidazole-4-carboxamide (CID 37294346) is 3-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for 3-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]imidazole-4-carboxamide is O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cncn1-c1ccccc1.
What is the InChIKey of 3-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]imidazole-4-carboxamide?
The InChIKey is WEQOOXOQMUWGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c26-20(19-14-22-15-25(19)18-6-2-1-3-7-18)23-17-10-8-16(9-11-17)21(27)24-12-4-5-13-24/h1-3,6-11,14-15H,4-5,12-13H2,(H,23,26).
What are the key properties of 3-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]imidazole-4-carboxamide?
3-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]imidazole-4-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 37294346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).