4-[7-bromo-2-cyclopropyl-3-(5,8-difluoroquinolin-4-yl)benzimidazol-5-yl]morpholine

C23H19BrF2N4O — CID 134361727

IUPAC4-[7-bromo-2-cyclopropyl-3-(5,8-difluoroquinolin-4-yl)benzimidazol-5-yl]morpholine
SMILESFc1ccc(F)c2c(-n3c(C4CC4)nc4c(Br)cc(N5CCOCC5)cc43)ccnc12
InChIInChI=1S/C23H19BrF2N4O/c24-15-11-14(29-7-9-31-10-8-29)12-19-21(15)28-23(13-1-2-13)30(19)18-5-6-27-22-17(26)4-3-16(25)20(18)22/h3-6,11-13H,1-2,7-10H2
InChIKeyQQGFGJNMZYJIBS-UHFFFAOYSA-N
MW485.33 g/mol
LogP5.33
Rot. Bonds3

About 4-[7-bromo-2-cyclopropyl-3-(5,8-difluoroquinolin-4-yl)benzimidazol-5-yl]morpholine

4-[7-bromo-2-cyclopropyl-3-(5,8-difluoroquinolin-4-yl)benzimidazol-5-yl]morpholine (PubChem CID 134361727) has the molecular formula C23H19BrF2N4O and a molecular weight of 485.33 g/mol. Its IUPAC name is 4-[7-bromo-2-cyclopropyl-3-(5,8-difluoroquinolin-4-yl)benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[7-bromo-2-cyclopropyl-3-(5,8-difluoroquinolin-4-yl)benzimidazol-5-yl]morpholine
PubChem CID134361727
Molecular FormulaC23H19BrF2N4O
Molecular Weight485.33 g/mol
Exact Mass484.07
IUPAC Name4-[7-bromo-2-cyclopropyl-3-(5,8-difluoroquinolin-4-yl)benzimidazol-5-yl]morpholine
SMILESFc1ccc(F)c2c(-n3c(C4CC4)nc4c(Br)cc(N5CCOCC5)cc43)ccnc12
InChIInChI=1S/C23H19BrF2N4O/c24-15-11-14(29-7-9-31-10-8-29)12-19-21(15)28-23(13-1-2-13)30(19)18-5-6-27-22-17(26)4-3-16(25)20(18)22/h3-6,11-13H,1-2,7-10H2
InChIKeyQQGFGJNMZYJIBS-UHFFFAOYSA-N
XLogP5.33
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.33
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(8-chloro-5-fluoroquinolin-4-yl)-2-cyclopropyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
CID 134371934
1-(5,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxamide
CID 134361708
4-[3-(5,8-difluoroquinolin-4-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzimidazol-5-yl]morpholine
CID 134371746
methyl 2-cyclopropyl-6-morpholin-4-yl-1-quinolin-4-ylbenzimidazole-4-carboxylate
CID 134361744
methyl 1-(5-chloro-8-fluoroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134362241
5-[1-(5,8-difluoroquinolin-4-yl)-6-morpholin-4-ylbenzimidazol-4-yl]-1H-imidazole-2-carbonitrile
CID 134361934
4-[3-(5-fluoroquinolin-4-yl)-2-methyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine
CID 134371788
methyl 1-(5-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134362246
2-ethyl-1-(8-fluoroquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134362182
4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(4-methyl-1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine
CID 134371926
4-[7-bromo-2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]benzimidazol-5-yl]morpholine
CID 56960542
4-[7-bromo-2-methyl-3-[(3-methylphenyl)methyl]benzimidazol-5-yl]morpholine
CID 86687819

Frequently Asked Questions

What is the IUPAC name of 4-[7-bromo-2-cyclopropyl-3-(5,8-difluoroquinolin-4-yl)benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[7-bromo-2-cyclopropyl-3-(5,8-difluoroquinolin-4-yl)benzimidazol-5-yl]morpholine (CID 134361727) is 4-[7-bromo-2-cyclopropyl-3-(5,8-difluoroquinolin-4-yl)benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[7-bromo-2-cyclopropyl-3-(5,8-difluoroquinolin-4-yl)benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[7-bromo-2-cyclopropyl-3-(5,8-difluoroquinolin-4-yl)benzimidazol-5-yl]morpholine is Fc1ccc(F)c2c(-n3c(C4CC4)nc4c(Br)cc(N5CCOCC5)cc43)ccnc12.
What is the InChIKey of 4-[7-bromo-2-cyclopropyl-3-(5,8-difluoroquinolin-4-yl)benzimidazol-5-yl]morpholine?
The InChIKey is QQGFGJNMZYJIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrF2N4O/c24-15-11-14(29-7-9-31-10-8-29)12-19-21(15)28-23(13-1-2-13)30(19)18-5-6-27-22-17(26)4-3-16(25)20(18)22/h3-6,11-13H,1-2,7-10H2.
What are the key properties of 4-[7-bromo-2-cyclopropyl-3-(5,8-difluoroquinolin-4-yl)benzimidazol-5-yl]morpholine?
4-[7-bromo-2-cyclopropyl-3-(5,8-difluoroquinolin-4-yl)benzimidazol-5-yl]morpholine has a molecular weight of 485.33 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-bromo-2-cyclopropyl-3-(5,8-difluoroquinolin-4-yl)benzimidazol-5-yl]morpholine is sourced from PubChem (CID 134361727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).