4-[2-(1H-indazol-3-yl)-1H-benzimidazol-4-yl]morpholine

C18H17N5O — CID 135820505

IUPAC4-[2-(1H-indazol-3-yl)-1H-benzimidazol-4-yl]morpholine
SMILESc1ccc2c(-c3nc4c(N5CCOCC5)cccc4[nH]3)n[nH]c2c1
InChIInChI=1S/C18H17N5O/c1-2-5-13-12(4-1)16(22-21-13)18-19-14-6-3-7-15(17(14)20-18)23-8-10-24-11-9-23/h1-7H,8-11H2,(H,19,20)(H,21,22)
InChIKeyRADDUEWPZUIFNK-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.94
Rot. Bonds2

About 4-[2-(1H-indazol-3-yl)-1H-benzimidazol-4-yl]morpholine

4-[2-(1H-indazol-3-yl)-1H-benzimidazol-4-yl]morpholine (PubChem CID 135820505) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-[2-(1H-indazol-3-yl)-1H-benzimidazol-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(1H-indazol-3-yl)-1H-benzimidazol-4-yl]morpholine
PubChem CID135820505
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name4-[2-(1H-indazol-3-yl)-1H-benzimidazol-4-yl]morpholine
SMILESc1ccc2c(-c3nc4c(N5CCOCC5)cccc4[nH]3)n[nH]c2c1
InChIInChI=1S/C18H17N5O/c1-2-5-13-12(4-1)16(22-21-13)18-19-14-6-3-7-15(17(14)20-18)23-8-10-24-11-9-23/h1-7H,8-11H2,(H,19,20)(H,21,22)
InChIKeyRADDUEWPZUIFNK-UHFFFAOYSA-N
XLogP2.94
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indazol-3-yl)-1H-benzimidazol-4-yl]morpholine?
The IUPAC name of 4-[2-(1H-indazol-3-yl)-1H-benzimidazol-4-yl]morpholine (CID 135820505) is 4-[2-(1H-indazol-3-yl)-1H-benzimidazol-4-yl]morpholine.
What is the SMILES notation for 4-[2-(1H-indazol-3-yl)-1H-benzimidazol-4-yl]morpholine?
The canonical SMILES for 4-[2-(1H-indazol-3-yl)-1H-benzimidazol-4-yl]morpholine is c1ccc2c(-c3nc4c(N5CCOCC5)cccc4[nH]3)n[nH]c2c1.
What is the InChIKey of 4-[2-(1H-indazol-3-yl)-1H-benzimidazol-4-yl]morpholine?
The InChIKey is RADDUEWPZUIFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-2-5-13-12(4-1)16(22-21-13)18-19-14-6-3-7-15(17(14)20-18)23-8-10-24-11-9-23/h1-7H,8-11H2,(H,19,20)(H,21,22).
What are the key properties of 4-[2-(1H-indazol-3-yl)-1H-benzimidazol-4-yl]morpholine?
4-[2-(1H-indazol-3-yl)-1H-benzimidazol-4-yl]morpholine has a molecular weight of 319.37 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indazol-3-yl)-1H-benzimidazol-4-yl]morpholine is sourced from PubChem (CID 135820505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).