3-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one

C19H18ClN5O — CID 121326151

IUPAC3-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C19H18ClN5O/c20-12-9-16-14(11-21-23-16)18(10-12)24-7-5-13(6-8-24)25-17-4-2-1-3-15(17)22-19(25)26/h1-4,9-11,13H,5-8H2,(H,21,23)(H,22,26)
InChIKeyQWZFYDDLENCTMQ-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.70
Rot. Bonds2

About 3-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 121326151) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 3-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID121326151
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name3-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C19H18ClN5O/c20-12-9-16-14(11-21-23-16)18(10-12)24-7-5-13(6-8-24)25-17-4-2-1-3-15(17)22-19(25)26/h1-4,9-11,13H,5-8H2,(H,21,23)(H,22,26)
InChIKeyQWZFYDDLENCTMQ-UHFFFAOYSA-N
XLogP3.70
TPSA69.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 121326151) is 3-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.
What is the InChIKey of 3-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is QWZFYDDLENCTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c20-12-9-16-14(11-21-23-16)18(10-12)24-7-5-13(6-8-24)25-17-4-2-1-3-15(17)22-19(25)26/h1-4,9-11,13H,5-8H2,(H,21,23)(H,22,26).
What are the key properties of 3-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 367.84 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 121326151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).