N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide

C16H13BrFN3O2 — CID 1250694

IUPACN-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)c3ccc(F)cc3)c(Br)cc21
InChIInChI=1S/C16H13BrFN3O2/c1-20-13-7-11(17)12(8-14(13)21(2)16(20)23)19-15(22)9-3-5-10(18)6-4-9/h3-8H,1-2H3,(H,19,22)
InChIKeyJRJOIIKQQUJIPH-UHFFFAOYSA-N
MW378.20 g/mol
LogP3.03
Rot. Bonds2

About N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide

N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide (PubChem CID 1250694) has the molecular formula C16H13BrFN3O2 and a molecular weight of 378.20 g/mol. Its IUPAC name is N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide
PubChem CID1250694
Molecular FormulaC16H13BrFN3O2
Molecular Weight378.20 g/mol
Exact Mass377.02
IUPAC NameN-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)c3ccc(F)cc3)c(Br)cc21
InChIInChI=1S/C16H13BrFN3O2/c1-20-13-7-11(17)12(8-14(13)21(2)16(20)23)19-15(22)9-3-5-10(18)6-4-9/h3-8H,1-2H3,(H,19,22)
InChIKeyJRJOIIKQQUJIPH-UHFFFAOYSA-N
XLogP3.03
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.20
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide?
The IUPAC name of N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide (CID 1250694) is N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide?
The canonical SMILES for N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide is Cn1c(=O)n(C)c2cc(NC(=O)c3ccc(F)cc3)c(Br)cc21.
What is the InChIKey of N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide?
The InChIKey is JRJOIIKQQUJIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3O2/c1-20-13-7-11(17)12(8-14(13)21(2)16(20)23)19-15(22)9-3-5-10(18)6-4-9/h3-8H,1-2H3,(H,19,22).
What are the key properties of N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide?
N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide has a molecular weight of 378.20 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide is sourced from PubChem (CID 1250694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).