N-[3-(imidazol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C15H16N4O2 — CID 78982569

IUPACN-[3-(imidazol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2cccc(Cn3ccnc3)c2)CN1
InChIInChI=1S/C15H16N4O2/c20-14-7-12(8-17-14)15(21)18-13-3-1-2-11(6-13)9-19-5-4-16-10-19/h1-6,10,12H,7-9H2,(H,17,20)(H,18,21)
InChIKeyAWTRZJMIIAUAIQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.01
Rot. Bonds4

About N-[3-(imidazol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

N-[3-(imidazol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 78982569) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[3-(imidazol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(imidazol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID78982569
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-[3-(imidazol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2cccc(Cn3ccnc3)c2)CN1
InChIInChI=1S/C15H16N4O2/c20-14-7-12(8-17-14)15(21)18-13-3-1-2-11(6-13)9-19-5-4-16-10-19/h1-6,10,12H,7-9H2,(H,17,20)(H,18,21)
InChIKeyAWTRZJMIIAUAIQ-UHFFFAOYSA-N
XLogP1.01
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(imidazol-1-ylmethyl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46604915
N-[3-(imidazol-1-ylmethyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 47043133
4-amino-N-[3-(imidazol-1-ylmethyl)phenyl]cyclopent-2-ene-1-carboxamide
CID 79208915
2-bromo-N-[3-(imidazol-1-ylmethyl)phenyl]acetamide
CID 63679875
N-[3-(imidazol-1-ylmethyl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79287273
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982581
3-(cyclopropylamino)-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide
CID 60866364
N-[3-(imidazol-1-ylmethyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43070906
2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide
CID 43696854
N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide
CID 155951666
5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide
CID 136542533
(1R)-2,2-dichloro-N-[3-(imidazol-1-ylmethyl)phenyl]-1-methylcyclopropane-1-carboxamide
CID 32557435

Frequently Asked Questions

What is the IUPAC name of N-[3-(imidazol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(imidazol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 78982569) is N-[3-(imidazol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(imidazol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(imidazol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)Nc2cccc(Cn3ccnc3)c2)CN1.
What is the InChIKey of N-[3-(imidazol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AWTRZJMIIAUAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-14-7-12(8-17-14)15(21)18-13-3-1-2-11(6-13)9-19-5-4-16-10-19/h1-6,10,12H,7-9H2,(H,17,20)(H,18,21).
What are the key properties of N-[3-(imidazol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
N-[3-(imidazol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(imidazol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78982569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).