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

C21H19FN4O2 — CID 46976353

IUPAC1-cyclopropyl-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazole-5-carboxamide
SMILESO=C(NC1CC(=O)N(c2ccccc2F)C1)c1ccc2c(c1)ncn2C1CC1
InChIInChI=1S/C21H19FN4O2/c22-16-3-1-2-4-18(16)25-11-14(10-20(25)27)24-21(28)13-5-8-19-17(9-13)23-12-26(19)15-6-7-15/h1-5,8-9,12,14-15H,6-7,10-11H2,(H,24,28)
InChIKeyCBQJPEALOJNADZ-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.05
Rot. Bonds4

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

1-cyclopropyl-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazole-5-carboxamide (PubChem CID 46976353) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 1-cyclopropyl-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazole-5-carboxamide
PubChem CID46976353
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name1-cyclopropyl-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazole-5-carboxamide
SMILESO=C(NC1CC(=O)N(c2ccccc2F)C1)c1ccc2c(c1)ncn2C1CC1
InChIInChI=1S/C21H19FN4O2/c22-16-3-1-2-4-18(16)25-11-14(10-20(25)27)24-21(28)13-5-8-19-17(9-13)23-12-26(19)15-6-7-15/h1-5,8-9,12,14-15H,6-7,10-11H2,(H,24,28)
InChIKeyCBQJPEALOJNADZ-UHFFFAOYSA-N
XLogP3.05
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 166214840
N-[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 92626128
N-[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-fluoropyridine-4-carboxamide
CID 95323518
N-[(3R)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide
CID 124615577
N-[(3S)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide
CID 124615578
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
CID 18573384
N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
CID 7255471
3-(4-chlorophenyl)-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 46975669
cyclopropyl-(1-cyclopropylbenzimidazol-5-yl)methanone
CID 82494686
3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563649
3,4-difluoro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563424
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazole-5-carboxamide (CID 46976353) is 1-cyclopropyl-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazole-5-carboxamide is O=C(NC1CC(=O)N(c2ccccc2F)C1)c1ccc2c(c1)ncn2C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazole-5-carboxamide?
The InChIKey is CBQJPEALOJNADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-16-3-1-2-4-18(16)25-11-14(10-20(25)27)24-21(28)13-5-8-19-17(9-13)23-12-26(19)15-6-7-15/h1-5,8-9,12,14-15H,6-7,10-11H2,(H,24,28).
What are the key properties of 1-cyclopropyl-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazole-5-carboxamide?
1-cyclopropyl-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazole-5-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazole-5-carboxamide is sourced from PubChem (CID 46976353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).