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

C25H24FN7O — CID 134371756

IUPAC4-[3-(7-fluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine
SMILESCCCc1nc2c(-c3ncn[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2cc(F)ccc12
InChIInChI=1S/C25H24FN7O/c1-2-3-23-30-24-19(25-28-15-29-31-25)13-17(32-8-10-34-11-9-32)14-22(24)33(23)21-6-7-27-20-12-16(26)4-5-18(20)21/h4-7,12-15H,2-3,8-11H2,1H3,(H,28,29,31)
InChIKeyXRINSFHIUDZTJB-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.29
Rot. Bonds5

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

4-[3-(7-fluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine (PubChem CID 134371756) has the molecular formula C25H24FN7O and a molecular weight of 457.51 g/mol. Its IUPAC name is 4-[3-(7-fluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(7-fluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine
PubChem CID134371756
Molecular FormulaC25H24FN7O
Molecular Weight457.51 g/mol
Exact Mass457.20
IUPAC Name4-[3-(7-fluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine
SMILESCCCc1nc2c(-c3ncn[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2cc(F)ccc12
InChIInChI=1S/C25H24FN7O/c1-2-3-23-30-24-19(25-28-15-29-31-25)13-17(32-8-10-34-11-9-32)14-22(24)33(23)21-6-7-27-20-12-16(26)4-5-18(20)21/h4-7,12-15H,2-3,8-11H2,1H3,(H,28,29,31)
InChIKeyXRINSFHIUDZTJB-UHFFFAOYSA-N
XLogP4.29
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.29
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)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[3-(7-fluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine (CID 134371756) is 4-[3-(7-fluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-(7-fluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[3-(7-fluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine is CCCc1nc2c(-c3ncn[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2cc(F)ccc12.
What is the InChIKey of 4-[3-(7-fluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine?
The InChIKey is XRINSFHIUDZTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O/c1-2-3-23-30-24-19(25-28-15-29-31-25)13-17(32-8-10-34-11-9-32)14-22(24)33(23)21-6-7-27-20-12-16(26)4-5-18(20)21/h4-7,12-15H,2-3,8-11H2,1H3,(H,28,29,31).
What are the key properties of 4-[3-(7-fluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine?
4-[3-(7-fluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine has a molecular weight of 457.51 g/mol, XLogP of 4.29, 5 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)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine is sourced from PubChem (CID 134371756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).