N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide

C19H16FN5O2 — CID 49168620

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)c3ccn(-c4cccc(F)c4)n3)ccc21
InChIInChI=1S/C19H16FN5O2/c1-23-16-7-6-13(11-17(16)24(2)19(23)27)21-18(26)15-8-9-25(22-15)14-5-3-4-12(20)10-14/h3-11H,1-2H3,(H,21,26)
InChIKeyOUUCJEFHWRKTBL-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.45
Rot. Bonds3

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 49168620) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
PubChem CID49168620
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)c3ccn(-c4cccc(F)c4)n3)ccc21
InChIInChI=1S/C19H16FN5O2/c1-23-16-7-6-13(11-17(16)24(2)19(23)27)21-18(26)15-8-9-25(22-15)14-5-3-4-12(20)10-14/h3-11H,1-2H3,(H,21,26)
InChIKeyOUUCJEFHWRKTBL-UHFFFAOYSA-N
XLogP2.45
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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1-(3-fluorophenyl)-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide (CID 49168620) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide is Cn1c(=O)n(C)c2cc(NC(=O)c3ccn(-c4cccc(F)c4)n3)ccc21.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is OUUCJEFHWRKTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-23-16-7-6-13(11-17(16)24(2)19(23)27)21-18(26)15-8-9-25(22-15)14-5-3-4-12(20)10-14/h3-11H,1-2H3,(H,21,26).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 365.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 49168620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).