4-[3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine

C24H21FN6O — CID 134371901

IUPAC4-[3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine
SMILESCc1nc2c(-c3cnc[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)cccc12
InChIInChI=1S/C24H21FN6O/c1-15-29-24-18(20-13-26-14-28-20)11-16(30-7-9-32-10-8-30)12-22(24)31(15)21-5-6-27-23-17(21)3-2-4-19(23)25/h2-6,11-14H,7-10H2,1H3,(H,26,28)
InChIKeyWDRVNIVRTUSVER-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.25
Rot. Bonds3

About 4-[3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine

4-[3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine (PubChem CID 134371901) has the molecular formula C24H21FN6O and a molecular weight of 428.47 g/mol. Its IUPAC name is 4-[3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine
PubChem CID134371901
Molecular FormulaC24H21FN6O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC Name4-[3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine
SMILESCc1nc2c(-c3cnc[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)cccc12
InChIInChI=1S/C24H21FN6O/c1-15-29-24-18(20-13-26-14-28-20)11-16(30-7-9-32-10-8-30)12-22(24)31(15)21-5-6-27-23-17(21)3-2-4-19(23)25/h2-6,11-14H,7-10H2,1H3,(H,26,28)
InChIKeyWDRVNIVRTUSVER-UHFFFAOYSA-N
XLogP4.25
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine?
The IUPAC name of 4-[3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine (CID 134371901) is 4-[3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine is Cc1nc2c(-c3cnc[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)cccc12.
What is the InChIKey of 4-[3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine?
The InChIKey is WDRVNIVRTUSVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O/c1-15-29-24-18(20-13-26-14-28-20)11-16(30-7-9-32-10-8-30)12-22(24)31(15)21-5-6-27-23-17(21)3-2-4-19(23)25/h2-6,11-14H,7-10H2,1H3,(H,26,28).
What are the key properties of 4-[3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine?
4-[3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine has a molecular weight of 428.47 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine is sourced from PubChem (CID 134371901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).