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

C24H20ClFN6O — CID 134361737

IUPAC4-[7-(2-chloro-1H-imidazol-5-yl)-3-(8-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]morpholine
SMILESCc1nc2c(-c3cnc(Cl)[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)cccc12
InChIInChI=1S/C24H20ClFN6O/c1-14-29-23-17(19-13-28-24(25)30-19)11-15(31-7-9-33-10-8-31)12-21(23)32(14)20-5-6-27-22-16(20)3-2-4-18(22)26/h2-6,11-13H,7-10H2,1H3,(H,28,30)
InChIKeyGBRBQUDWHNBRPV-UHFFFAOYSA-N
MW462.92 g/mol
LogP4.90
Rot. Bonds3

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

4-[7-(2-chloro-1H-imidazol-5-yl)-3-(8-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]morpholine (PubChem CID 134361737) has the molecular formula C24H20ClFN6O and a molecular weight of 462.92 g/mol. Its IUPAC name is 4-[7-(2-chloro-1H-imidazol-5-yl)-3-(8-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[7-(2-chloro-1H-imidazol-5-yl)-3-(8-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]morpholine
PubChem CID134361737
Molecular FormulaC24H20ClFN6O
Molecular Weight462.92 g/mol
Exact Mass462.14
IUPAC Name4-[7-(2-chloro-1H-imidazol-5-yl)-3-(8-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]morpholine
SMILESCc1nc2c(-c3cnc(Cl)[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)cccc12
InChIInChI=1S/C24H20ClFN6O/c1-14-29-23-17(19-13-28-24(25)30-19)11-15(31-7-9-33-10-8-31)12-21(23)32(14)20-5-6-27-22-16(20)3-2-4-18(22)26/h2-6,11-13H,7-10H2,1H3,(H,28,30)
InChIKeyGBRBQUDWHNBRPV-UHFFFAOYSA-N
XLogP4.90
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.92
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(2-chloro-1H-imidazol-5-yl)-3-(8-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]morpholine?
The IUPAC name of 4-[7-(2-chloro-1H-imidazol-5-yl)-3-(8-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]morpholine (CID 134361737) is 4-[7-(2-chloro-1H-imidazol-5-yl)-3-(8-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[7-(2-chloro-1H-imidazol-5-yl)-3-(8-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[7-(2-chloro-1H-imidazol-5-yl)-3-(8-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]morpholine is Cc1nc2c(-c3cnc(Cl)[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)cccc12.
What is the InChIKey of 4-[7-(2-chloro-1H-imidazol-5-yl)-3-(8-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]morpholine?
The InChIKey is GBRBQUDWHNBRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN6O/c1-14-29-23-17(19-13-28-24(25)30-19)11-15(31-7-9-33-10-8-31)12-21(23)32(14)20-5-6-27-22-16(20)3-2-4-18(22)26/h2-6,11-13H,7-10H2,1H3,(H,28,30).
What are the key properties of 4-[7-(2-chloro-1H-imidazol-5-yl)-3-(8-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]morpholine?
4-[7-(2-chloro-1H-imidazol-5-yl)-3-(8-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]morpholine has a molecular weight of 462.92 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2-chloro-1H-imidazol-5-yl)-3-(8-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]morpholine is sourced from PubChem (CID 134361737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).