4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine

C26H24F2N6O — CID 134371900

IUPAC4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine
SMILESCCc1nc2c(-c3cnc(C)[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)ccc(F)c12
InChIInChI=1S/C26H24F2N6O/c1-3-23-32-25-17(20-14-30-15(2)31-20)12-16(33-8-10-35-11-9-33)13-22(25)34(23)21-6-7-29-26-19(28)5-4-18(27)24(21)26/h4-7,12-14H,3,8-11H2,1-2H3,(H,30,31)
InChIKeyDJTJTNMTXYWVBR-UHFFFAOYSA-N
MW474.52 g/mol
LogP4.95
Rot. Bonds4

About 4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine

4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine (PubChem CID 134371900) has the molecular formula C26H24F2N6O and a molecular weight of 474.52 g/mol. Its IUPAC name is 4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine
PubChem CID134371900
Molecular FormulaC26H24F2N6O
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC Name4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine
SMILESCCc1nc2c(-c3cnc(C)[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)ccc(F)c12
InChIInChI=1S/C26H24F2N6O/c1-3-23-32-25-17(20-14-30-15(2)31-20)12-16(33-8-10-35-11-9-33)13-22(25)34(23)21-6-7-29-26-19(28)5-4-18(27)24(21)26/h4-7,12-14H,3,8-11H2,1-2H3,(H,30,31)
InChIKeyDJTJTNMTXYWVBR-UHFFFAOYSA-N
XLogP4.95
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine (CID 134371900) is 4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine is CCc1nc2c(-c3cnc(C)[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)ccc(F)c12.
What is the InChIKey of 4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine?
The InChIKey is DJTJTNMTXYWVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N6O/c1-3-23-32-25-17(20-14-30-15(2)31-20)12-16(33-8-10-35-11-9-33)13-22(25)34(23)21-6-7-29-26-19(28)5-4-18(27)24(21)26/h4-7,12-14H,3,8-11H2,1-2H3,(H,30,31).
What are the key properties of 4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine?
4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine has a molecular weight of 474.52 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine is sourced from PubChem (CID 134371900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).