4-[3-(7-fluoroquinolin-4-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzimidazol-5-yl]morpholine

C23H20FN7O — CID 134371779

IUPAC4-[3-(7-fluoroquinolin-4-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzimidazol-5-yl]morpholine
SMILESCc1nc(-c2cc(N3CCOCC3)cc3c2ncn3-c2ccnc3cc(F)ccc23)n[nH]1
InChIInChI=1S/C23H20FN7O/c1-14-27-23(29-28-14)18-11-16(30-6-8-32-9-7-30)12-21-22(18)26-13-31(21)20-4-5-25-19-10-15(24)2-3-17(19)20/h2-5,10-13H,6-9H2,1H3,(H,27,28,29)
InChIKeySFIMCOPXCXRWQD-UHFFFAOYSA-N
MW429.46 g/mol
LogP3.64
Rot. Bonds3

About 4-[3-(7-fluoroquinolin-4-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzimidazol-5-yl]morpholine

4-[3-(7-fluoroquinolin-4-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzimidazol-5-yl]morpholine (PubChem CID 134371779) has the molecular formula C23H20FN7O and a molecular weight of 429.46 g/mol. Its IUPAC name is 4-[3-(7-fluoroquinolin-4-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(7-fluoroquinolin-4-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzimidazol-5-yl]morpholine
PubChem CID134371779
Molecular FormulaC23H20FN7O
Molecular Weight429.46 g/mol
Exact Mass429.17
IUPAC Name4-[3-(7-fluoroquinolin-4-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzimidazol-5-yl]morpholine
SMILESCc1nc(-c2cc(N3CCOCC3)cc3c2ncn3-c2ccnc3cc(F)ccc23)n[nH]1
InChIInChI=1S/C23H20FN7O/c1-14-27-23(29-28-14)18-11-16(30-6-8-32-9-7-30)12-21-22(18)26-13-31(21)20-4-5-25-19-10-15(24)2-3-17(19)20/h2-5,10-13H,6-9H2,1H3,(H,27,28,29)
InChIKeySFIMCOPXCXRWQD-UHFFFAOYSA-N
XLogP3.64
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(7-fluoroquinolin-4-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[3-(7-fluoroquinolin-4-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzimidazol-5-yl]morpholine (CID 134371779) is 4-[3-(7-fluoroquinolin-4-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-(7-fluoroquinolin-4-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[3-(7-fluoroquinolin-4-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzimidazol-5-yl]morpholine is Cc1nc(-c2cc(N3CCOCC3)cc3c2ncn3-c2ccnc3cc(F)ccc23)n[nH]1.
What is the InChIKey of 4-[3-(7-fluoroquinolin-4-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzimidazol-5-yl]morpholine?
The InChIKey is SFIMCOPXCXRWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN7O/c1-14-27-23(29-28-14)18-11-16(30-6-8-32-9-7-30)12-21-22(18)26-13-31(21)20-4-5-25-19-10-15(24)2-3-17(19)20/h2-5,10-13H,6-9H2,1H3,(H,27,28,29).
What are the key properties of 4-[3-(7-fluoroquinolin-4-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzimidazol-5-yl]morpholine?
4-[3-(7-fluoroquinolin-4-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzimidazol-5-yl]morpholine has a molecular weight of 429.46 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(7-fluoroquinolin-4-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzimidazol-5-yl]morpholine is sourced from PubChem (CID 134371779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).