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

C25H22F2N6O — CID 134361777

IUPAC4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(1H-imidazol-2-yl)benzimidazol-5-yl]morpholine
SMILESCCc1nc2c(-c3ncc[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)ccc(F)c12
InChIInChI=1S/C25H22F2N6O/c1-2-21-31-23-16(25-29-7-8-30-25)13-15(32-9-11-34-12-10-32)14-20(23)33(21)19-5-6-28-24-18(27)4-3-17(26)22(19)24/h3-8,13-14H,2,9-12H2,1H3,(H,29,30)
InChIKeyUDIVGMQQEBZPHB-UHFFFAOYSA-N
MW460.49 g/mol
LogP4.64
Rot. Bonds4

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

4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(1H-imidazol-2-yl)benzimidazol-5-yl]morpholine (PubChem CID 134361777) has the molecular formula C25H22F2N6O and a molecular weight of 460.49 g/mol. Its IUPAC name is 4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(1H-imidazol-2-yl)benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(1H-imidazol-2-yl)benzimidazol-5-yl]morpholine
PubChem CID134361777
Molecular FormulaC25H22F2N6O
Molecular Weight460.49 g/mol
Exact Mass460.18
IUPAC Name4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(1H-imidazol-2-yl)benzimidazol-5-yl]morpholine
SMILESCCc1nc2c(-c3ncc[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)ccc(F)c12
InChIInChI=1S/C25H22F2N6O/c1-2-21-31-23-16(25-29-7-8-30-25)13-15(32-9-11-34-12-10-32)14-20(23)33(21)19-5-6-28-24-18(27)4-3-17(26)22(19)24/h3-8,13-14H,2,9-12H2,1H3,(H,29,30)
InChIKeyUDIVGMQQEBZPHB-UHFFFAOYSA-N
XLogP4.64
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 54.64
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-(1H-imidazol-2-yl)benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(1H-imidazol-2-yl)benzimidazol-5-yl]morpholine (CID 134361777) is 4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(1H-imidazol-2-yl)benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(1H-imidazol-2-yl)benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(1H-imidazol-2-yl)benzimidazol-5-yl]morpholine is CCc1nc2c(-c3ncc[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-(1H-imidazol-2-yl)benzimidazol-5-yl]morpholine?
The InChIKey is UDIVGMQQEBZPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N6O/c1-2-21-31-23-16(25-29-7-8-30-25)13-15(32-9-11-34-12-10-32)14-20(23)33(21)19-5-6-28-24-18(27)4-3-17(26)22(19)24/h3-8,13-14H,2,9-12H2,1H3,(H,29,30).
What are the key properties of 4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(1H-imidazol-2-yl)benzimidazol-5-yl]morpholine?
4-[3-(5,8-difluoroquinolin-4-yl)-2-ethyl-7-(1H-imidazol-2-yl)benzimidazol-5-yl]morpholine has a molecular weight of 460.49 g/mol, XLogP of 4.64, 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-(1H-imidazol-2-yl)benzimidazol-5-yl]morpholine is sourced from PubChem (CID 134361777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).