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

C23H20FN7O — CID 134371788

IUPAC4-[3-(5-fluoroquinolin-4-yl)-2-methyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine
SMILESCc1nc2c(-c3ncn[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2cccc(F)c12
InChIInChI=1S/C23H20FN7O/c1-14-28-22-16(23-26-13-27-29-23)11-15(30-7-9-32-10-8-30)12-20(22)31(14)19-5-6-25-18-4-2-3-17(24)21(18)19/h2-6,11-13H,7-10H2,1H3,(H,26,27,29)
InChIKeyAYTYRGZXQHEYOV-UHFFFAOYSA-N
MW429.46 g/mol
LogP3.64
Rot. Bonds3

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

4-[3-(5-fluoroquinolin-4-yl)-2-methyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine (PubChem CID 134371788) has the molecular formula C23H20FN7O and a molecular weight of 429.46 g/mol. Its IUPAC name is 4-[3-(5-fluoroquinolin-4-yl)-2-methyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(5-fluoroquinolin-4-yl)-2-methyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine
PubChem CID134371788
Molecular FormulaC23H20FN7O
Molecular Weight429.46 g/mol
Exact Mass429.17
IUPAC Name4-[3-(5-fluoroquinolin-4-yl)-2-methyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine
SMILESCc1nc2c(-c3ncn[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2cccc(F)c12
InChIInChI=1S/C23H20FN7O/c1-14-28-22-16(23-26-13-27-29-23)11-15(30-7-9-32-10-8-30)12-20(22)31(14)19-5-6-25-18-4-2-3-17(24)21(18)19/h2-6,11-13H,7-10H2,1H3,(H,26,27,29)
InChIKeyAYTYRGZXQHEYOV-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-(5-fluoroquinolin-4-yl)-2-methyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[3-(5-fluoroquinolin-4-yl)-2-methyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine (CID 134371788) is 4-[3-(5-fluoroquinolin-4-yl)-2-methyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-(5-fluoroquinolin-4-yl)-2-methyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[3-(5-fluoroquinolin-4-yl)-2-methyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine is Cc1nc2c(-c3ncn[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2cccc(F)c12.
What is the InChIKey of 4-[3-(5-fluoroquinolin-4-yl)-2-methyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine?
The InChIKey is AYTYRGZXQHEYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN7O/c1-14-28-22-16(23-26-13-27-29-23)11-15(30-7-9-32-10-8-30)12-20(22)31(14)19-5-6-25-18-4-2-3-17(24)21(18)19/h2-6,11-13H,7-10H2,1H3,(H,26,27,29).
What are the key properties of 4-[3-(5-fluoroquinolin-4-yl)-2-methyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine?
4-[3-(5-fluoroquinolin-4-yl)-2-methyl-7-(1H-1,2,4-triazol-5-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-(5-fluoroquinolin-4-yl)-2-methyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine is sourced from PubChem (CID 134371788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).