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

C22H21FN4O2 — CID 25325508

IUPACN-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCn1ccnc1[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1F
InChIInChI=1S/C22H21FN4O2/c1-26-13-11-24-21(26)20(17-8-2-3-9-18(17)23)25-22(29)15-6-4-7-16(14-15)27-12-5-10-19(27)28/h2-4,6-9,11,13-14,20H,5,10,12H2,1H3,(H,25,29)/t20-/m1/s1
InChIKeyZBPVLZOLHMGYKO-HXUWFJFHSA-N
MW392.43 g/mol
LogP3.21
Rot. Bonds5

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

N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 25325508) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID25325508
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC NameN-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCn1ccnc1[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1F
InChIInChI=1S/C22H21FN4O2/c1-26-13-11-24-21(26)20(17-8-2-3-9-18(17)23)25-22(29)15-6-4-7-16(14-15)27-12-5-10-19(27)28/h2-4,6-9,11,13-14,20H,5,10,12H2,1H3,(H,25,29)/t20-/m1/s1
InChIKeyZBPVLZOLHMGYKO-HXUWFJFHSA-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-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 51260024
N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 25406465
N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46528319
N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 46533259
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 27900389
3-fluoro-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 40939583
N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-nitrobenzamide
CID 41036704
N-(2,6-difluorophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174706
N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(methoxymethyl)benzamide
CID 18102497
N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 42884017
N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 27900346
2,3-dichloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923192

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 25325508) is N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide is Cn1ccnc1[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1F.
What is the InChIKey of N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is ZBPVLZOLHMGYKO-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-26-13-11-24-21(26)20(17-8-2-3-9-18(17)23)25-22(29)15-6-4-7-16(14-15)27-12-5-10-19(27)28/h2-4,6-9,11,13-14,20H,5,10,12H2,1H3,(H,25,29)/t20-/m1/s1.
What are the key properties of N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[(R)-(2-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-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 25325508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).