N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C22H21FN4O2 — CID 51260024

IUPACN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCn1ccnc1C(NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(F)cc1
InChIInChI=1S/C22H21FN4O2/c1-26-13-11-24-21(26)20(15-7-9-17(23)10-8-15)25-22(29)16-4-2-5-18(14-16)27-12-3-6-19(27)28/h2,4-5,7-11,13-14,20H,3,6,12H2,1H3,(H,25,29)
InChIKeyMJDGRZUGIZEMJB-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.21
Rot. Bonds5

About N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 51260024) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID51260024
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCn1ccnc1C(NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(F)cc1
InChIInChI=1S/C22H21FN4O2/c1-26-13-11-24-21(26)20(15-7-9-17(23)10-8-15)25-22(29)16-4-2-5-18(14-16)27-12-3-6-19(27)28/h2,4-5,7-11,13-14,20H,3,6,12H2,1H3,(H,25,29)
InChIKeyMJDGRZUGIZEMJB-UHFFFAOYSA-N
XLogP3.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 25325508
(E)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 55491500
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 27900176
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 26078376
3,5-dichloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46512997
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 98487422
4-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzene-1,4-dicarboxamide
CID 51272974
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide
CID 46685190
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxybenzamide
CID 46631561
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46580236
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 46516165

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 51260024) is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide is Cn1ccnc1C(NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is MJDGRZUGIZEMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-26-13-11-24-21(26)20(15-7-9-17(23)10-8-15)25-22(29)16-4-2-5-18(14-16)27-12-3-6-19(27)28/h2,4-5,7-11,13-14,20H,3,6,12H2,1H3,(H,25,29).
What are the key properties of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 392.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 51260024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).