2-ethoxy-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide

C20H19FN4O3 — CID 136537798

IUPAC2-ethoxy-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide
SMILESCCOc1nc2ccc(C(=O)NC3CCN(c4ccccc4F)C3=O)cc2[nH]1
InChIInChI=1S/C20H19FN4O3/c1-2-28-20-23-14-8-7-12(11-16(14)24-20)18(26)22-15-9-10-25(19(15)27)17-6-4-3-5-13(17)21/h3-8,11,15H,2,9-10H2,1H3,(H,22,26)(H,23,24)
InChIKeyXWSZUYZVJKEWFU-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.64
Rot. Bonds5

About 2-ethoxy-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide

2-ethoxy-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 136537798) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 2-ethoxy-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide
PubChem CID136537798
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name2-ethoxy-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide
SMILESCCOc1nc2ccc(C(=O)NC3CCN(c4ccccc4F)C3=O)cc2[nH]1
InChIInChI=1S/C20H19FN4O3/c1-2-28-20-23-14-8-7-12(11-16(14)24-20)18(26)22-15-9-10-25(19(15)27)17-6-4-3-5-13(17)21/h3-8,11,15H,2,9-10H2,1H3,(H,22,26)(H,23,24)
InChIKeyXWSZUYZVJKEWFU-UHFFFAOYSA-N
XLogP2.64
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2H-benzotriazole-5-carboxamide
CID 56788494
N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide
CID 96526242
N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide
CID 96526243
2-[3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoyl]phenoxy]acetic acid
CID 120551292
N-[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75435103
2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 119324605
tert-butyl N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]carbamate
CID 95623664
2-(dimethylamino)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 96526140
1-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-ylurea
CID 95979903
3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234414
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 71931590
(3aR,7aS)-5-(2-ethoxy-3H-benzimidazole-5-carbonyl)-1-methyl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 120965768

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-ethoxy-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide (CID 136537798) is 2-ethoxy-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-ethoxy-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide is CCOc1nc2ccc(C(=O)NC3CCN(c4ccccc4F)C3=O)cc2[nH]1.
What is the InChIKey of 2-ethoxy-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is XWSZUYZVJKEWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-2-28-20-23-14-8-7-12(11-16(14)24-20)18(26)22-15-9-10-25(19(15)27)17-6-4-3-5-13(17)21/h3-8,11,15H,2,9-10H2,1H3,(H,22,26)(H,23,24).
What are the key properties of 2-ethoxy-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide?
2-ethoxy-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 136537798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).