N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide

C16H14FN3O2 — CID 6458673

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C16H14FN3O2/c1-19-13-8-7-12(9-14(13)20(2)16(19)22)18-15(21)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,21)
InChIKeyYKTNRZSFACZXPS-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.27
Rot. Bonds2

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide (PubChem CID 6458673) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide
PubChem CID6458673
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C16H14FN3O2/c1-19-13-8-7-12(9-14(13)20(2)16(19)22)18-15(21)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,21)
InChIKeyYKTNRZSFACZXPS-UHFFFAOYSA-N
XLogP2.27
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3168
Benperidol
CID 16363
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CID 25105698
4-Methyl-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 25105701
N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-4-vinylbenzamide
CID 25105702
4-Fluoro-N-(4-fluorobenzoyl)-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
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CID 1250694
1-(4-Acetylphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
CID 2406863
3-nitro-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)benzamide
CID 3863053
N-(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-2-isopropylsulfanyl-benzamide
CID 6498925
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide (CID 6458673) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide is Cn1c(=O)n(C)c2cc(NC(=O)c3ccc(F)cc3)ccc21.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide?
The InChIKey is YKTNRZSFACZXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-19-13-8-7-12(9-14(13)20(2)16(19)22)18-15(21)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,21).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide has a molecular weight of 299.31 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide is sourced from PubChem (CID 6458673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).