N-[1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-oxopyrrolidin-3-yl]cyclohexa-2,4-diene-1-carboxamide

C22H24N4O3 — CID 70803503

IUPACN-[1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-oxopyrrolidin-3-yl]cyclohexa-2,4-diene-1-carboxamide
SMILESCOc1cc(N2CCC(NC(=O)C3C=CC=CC3)C2=O)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H24N4O3/c1-15-13-25(14-23-15)19-9-8-17(12-20(19)29-2)26-11-10-18(22(26)28)24-21(27)16-6-4-3-5-7-16/h3-6,8-9,12-14,16,18H,7,10-11H2,1-2H3,(H,24,27)
InChIKeyGBLWPVYMGWGUFF-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.54
Rot. Bonds5

About N-[1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-oxopyrrolidin-3-yl]cyclohexa-2,4-diene-1-carboxamide

N-[1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-oxopyrrolidin-3-yl]cyclohexa-2,4-diene-1-carboxamide (PubChem CID 70803503) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-oxopyrrolidin-3-yl]cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound NameN-[1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-oxopyrrolidin-3-yl]cyclohexa-2,4-diene-1-carboxamide
PubChem CID70803503
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-oxopyrrolidin-3-yl]cyclohexa-2,4-diene-1-carboxamide
SMILESCOc1cc(N2CCC(NC(=O)C3C=CC=CC3)C2=O)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H24N4O3/c1-15-13-25(14-23-15)19-9-8-17(12-20(19)29-2)26-11-10-18(22(26)28)24-21(27)16-6-4-3-5-7-16/h3-6,8-9,12-14,16,18H,7,10-11H2,1-2H3,(H,24,27)
InChIKeyGBLWPVYMGWGUFF-UHFFFAOYSA-N
XLogP2.54
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,5-dimethoxyphenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one
CID 67808898
3-[(2-fluorophenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one
CID 67701484
3-methoxy-4-(4-methylimidazol-1-yl)aniline;1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one
CID 161433764
dimethyl 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168635430
3-[(4-chlorophenyl)methyl]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one;1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one
CID 160616712
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoic acid
CID 59528030
N-[3-(4-fluorophenyl)-2-oxo-1,3-diazinan-1-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 67067349
3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride
CID 66607849
ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline
CID 144841192
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-methylprop-2-enamide
CID 142686276
7-[1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3H-isoindol-1-one
CID 67808210
ethyl 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 66608063

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-oxopyrrolidin-3-yl]cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of N-[1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-oxopyrrolidin-3-yl]cyclohexa-2,4-diene-1-carboxamide (CID 70803503) is N-[1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-oxopyrrolidin-3-yl]cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for N-[1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-oxopyrrolidin-3-yl]cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for N-[1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-oxopyrrolidin-3-yl]cyclohexa-2,4-diene-1-carboxamide is COc1cc(N2CCC(NC(=O)C3C=CC=CC3)C2=O)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-oxopyrrolidin-3-yl]cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is GBLWPVYMGWGUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-13-25(14-23-15)19-9-8-17(12-20(19)29-2)26-11-10-18(22(26)28)24-21(27)16-6-4-3-5-7-16/h3-6,8-9,12-14,16,18H,7,10-11H2,1-2H3,(H,24,27).
What are the key properties of N-[1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-oxopyrrolidin-3-yl]cyclohexa-2,4-diene-1-carboxamide?
N-[1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-oxopyrrolidin-3-yl]cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-oxopyrrolidin-3-yl]cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 70803503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).