5-[6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one

C22H14Cl2N8O — CID 146433463

IUPAC5-[6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-n3nnc4cnc(-c5ccnn5Cc5ccc(Cl)cc5Cl)cc43)cc2[nH]1
InChIInChI=1S/C22H14Cl2N8O/c23-13-2-1-12(15(24)7-13)11-31-20(5-6-26-31)18-9-21-19(10-25-18)29-30-32(21)14-3-4-16-17(8-14)28-22(33)27-16/h1-10H,11H2,(H2,27,28,33)
InChIKeyWDWCVOWLRWDIJN-UHFFFAOYSA-N
MW477.32 g/mol
LogP4.20
Rot. Bonds4

About 5-[6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one

5-[6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 146433463) has the molecular formula C22H14Cl2N8O and a molecular weight of 477.32 g/mol. Its IUPAC name is 5-[6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID146433463
Molecular FormulaC22H14Cl2N8O
Molecular Weight477.32 g/mol
Exact Mass476.07
IUPAC Name5-[6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-n3nnc4cnc(-c5ccnn5Cc5ccc(Cl)cc5Cl)cc43)cc2[nH]1
InChIInChI=1S/C22H14Cl2N8O/c23-13-2-1-12(15(24)7-13)11-31-20(5-6-26-31)18-9-21-19(10-25-18)29-30-32(21)14-3-4-16-17(8-14)28-22(33)27-16/h1-10H,11H2,(H2,27,28,33)
InChIKeyWDWCVOWLRWDIJN-UHFFFAOYSA-N
XLogP4.20
TPSA110.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.32
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one (CID 146433463) is 5-[6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(-n3nnc4cnc(-c5ccnn5Cc5ccc(Cl)cc5Cl)cc43)cc2[nH]1.
What is the InChIKey of 5-[6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is WDWCVOWLRWDIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N8O/c23-13-2-1-12(15(24)7-13)11-31-20(5-6-26-31)18-9-21-19(10-25-18)29-30-32(21)14-3-4-16-17(8-14)28-22(33)27-16/h1-10H,11H2,(H2,27,28,33).
What are the key properties of 5-[6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one?
5-[6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 477.32 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 146433463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).