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

C23H17ClN8O2 — CID 162477025

IUPAC5-[6-[2-[(2-chloro-4-methoxyphenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1ccc(Cn2nccc2-c2cc3c(cn2)nnn3-c2ccc3[nH]c(=O)[nH]c3c2)c(Cl)c1
InChIInChI=1S/C23H17ClN8O2/c1-34-15-4-2-13(16(24)9-15)12-31-21(6-7-26-31)19-10-22-20(11-25-19)29-30-32(22)14-3-5-17-18(8-14)28-23(33)27-17/h2-11H,12H2,1H3,(H2,27,28,33)
InChIKeyMQOPHCVRWSVWMQ-UHFFFAOYSA-N
MW472.90 g/mol
LogP3.56
Rot. Bonds5

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

5-[6-[2-[(2-chloro-4-methoxyphenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 162477025) has the molecular formula C23H17ClN8O2 and a molecular weight of 472.90 g/mol. Its IUPAC name is 5-[6-[2-[(2-chloro-4-methoxyphenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[6-[2-[(2-chloro-4-methoxyphenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID162477025
Molecular FormulaC23H17ClN8O2
Molecular Weight472.90 g/mol
Exact Mass472.12
IUPAC Name5-[6-[2-[(2-chloro-4-methoxyphenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1ccc(Cn2nccc2-c2cc3c(cn2)nnn3-c2ccc3[nH]c(=O)[nH]c3c2)c(Cl)c1
InChIInChI=1S/C23H17ClN8O2/c1-34-15-4-2-13(16(24)9-15)12-31-21(6-7-26-31)19-10-22-20(11-25-19)29-30-32(22)14-3-5-17-18(8-14)28-23(33)27-17/h2-11H,12H2,1H3,(H2,27,28,33)
InChIKeyMQOPHCVRWSVWMQ-UHFFFAOYSA-N
XLogP3.56
TPSA119.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.90
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[2-[(2-chloro-4-methoxyphenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[6-[2-[(2-chloro-4-methoxyphenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one (CID 162477025) is 5-[6-[2-[(2-chloro-4-methoxyphenyl)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-chloro-4-methoxyphenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[6-[2-[(2-chloro-4-methoxyphenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one is COc1ccc(Cn2nccc2-c2cc3c(cn2)nnn3-c2ccc3[nH]c(=O)[nH]c3c2)c(Cl)c1.
What is the InChIKey of 5-[6-[2-[(2-chloro-4-methoxyphenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is MQOPHCVRWSVWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN8O2/c1-34-15-4-2-13(16(24)9-15)12-31-21(6-7-26-31)19-10-22-20(11-25-19)29-30-32(22)14-3-5-17-18(8-14)28-23(33)27-17/h2-11H,12H2,1H3,(H2,27,28,33).
What are the key properties of 5-[6-[2-[(2-chloro-4-methoxyphenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one?
5-[6-[2-[(2-chloro-4-methoxyphenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 472.90 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[2-[(2-chloro-4-methoxyphenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 162477025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).