N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C19H21FN4O3 — CID 90640646

IUPACN-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)NCC1CN(c3ccc(F)cc3)C(=O)O1)CC2
InChIInChI=1S/C19H21FN4O3/c1-11-22-16-7-2-12(8-17(16)23-11)18(25)21-9-15-10-24(19(26)27-15)14-5-3-13(20)4-6-14/h3-6,12,15H,2,7-10H2,1H3,(H,21,25)(H,22,23)
InChIKeyPYAZXUBDJXSBNN-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.10
Rot. Bonds4

About N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 90640646) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID90640646
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC NameN-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)NCC1CN(c3ccc(F)cc3)C(=O)O1)CC2
InChIInChI=1S/C19H21FN4O3/c1-11-22-16-7-2-12(8-17(16)23-11)18(25)21-9-15-10-24(19(26)27-15)14-5-3-13(20)4-6-14/h3-6,12,15H,2,7-10H2,1H3,(H,21,25)(H,22,23)
InChIKeyPYAZXUBDJXSBNN-UHFFFAOYSA-N
XLogP2.10
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100665169
4-fluoro-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 16920743
(5R)-2-methyl-N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100664205
3-fluoro-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 16920742
N-[[3-[1-(4-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21158002
N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 16920833
N-[[(5S)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide
CID 15341034
4-fluoro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide
CID 21027199
N-(4-hydroxyphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640425
benzyl N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 16920837
N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 16920543
N-[[3-[3-fluoro-4-[(1S,2R)-1-oxothian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide
CID 54193082

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 90640646) is N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1nc2c([nH]1)CC(C(=O)NCC1CN(c3ccc(F)cc3)C(=O)O1)CC2.
What is the InChIKey of N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is PYAZXUBDJXSBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-11-22-16-7-2-12(8-17(16)23-11)18(25)21-9-15-10-24(19(26)27-15)14-5-3-13(20)4-6-14/h3-6,12,15H,2,7-10H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 90640646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).