2,5-dimethyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyrazole-3-carboxamide

C19H17N5O3 — CID 46228729

IUPAC2,5-dimethyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(C)n1
InChIInChI=1S/C19H17N5O3/c1-11-9-15(24(2)23-11)18(25)20-12-5-3-6-13(10-12)27-16-8-4-7-14-17(16)22-19(26)21-14/h3-10H,1-2H3,(H,20,25)(H2,21,22,26)
InChIKeyQWRCHMJZHYJAFF-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.94
Rot. Bonds4

About 2,5-dimethyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyrazole-3-carboxamide (PubChem CID 46228729) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyrazole-3-carboxamide
PubChem CID46228729
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name2,5-dimethyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(C)n1
InChIInChI=1S/C19H17N5O3/c1-11-9-15(24(2)23-11)18(25)20-12-5-3-6-13(10-12)27-16-8-4-7-14-17(16)22-19(26)21-14/h3-10H,1-2H3,(H,20,25)(H2,21,22,26)
InChIKeyQWRCHMJZHYJAFF-UHFFFAOYSA-N
XLogP2.94
TPSA104.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyrazole-3-carboxamide (CID 46228729) is 2,5-dimethyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyrazole-3-carboxamide?
The InChIKey is QWRCHMJZHYJAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-11-9-15(24(2)23-11)18(25)20-12-5-3-6-13(10-12)27-16-8-4-7-14-17(16)22-19(26)21-14/h3-10H,1-2H3,(H,20,25)(H2,21,22,26).
What are the key properties of 2,5-dimethyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyrazole-3-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 46228729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).