4-[2-ethyl-7-fluoro-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine

C24H24FN3O — CID 56959530

IUPAC4-[2-ethyl-7-fluoro-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine
SMILESCCc1nc2c(F)cc(N3CCOCC3)cc2n1Cc1cccc2ccccc12
InChIInChI=1S/C24H24FN3O/c1-2-23-26-24-21(25)14-19(27-10-12-29-13-11-27)15-22(24)28(23)16-18-8-5-7-17-6-3-4-9-20(17)18/h3-9,14-15H,2,10-13,16H2,1H3
InChIKeyWCQVGANWGSQLOX-UHFFFAOYSA-N
MW389.47 g/mol
LogP4.78
Rot. Bonds4

About 4-[2-ethyl-7-fluoro-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine

4-[2-ethyl-7-fluoro-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine (PubChem CID 56959530) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is 4-[2-ethyl-7-fluoro-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[2-ethyl-7-fluoro-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine
PubChem CID56959530
Molecular FormulaC24H24FN3O
Molecular Weight389.47 g/mol
Exact Mass389.19
IUPAC Name4-[2-ethyl-7-fluoro-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine
SMILESCCc1nc2c(F)cc(N3CCOCC3)cc2n1Cc1cccc2ccccc12
InChIInChI=1S/C24H24FN3O/c1-2-23-26-24-21(25)14-19(27-10-12-29-13-11-27)15-22(24)28(23)16-18-8-5-7-17-6-3-4-9-20(17)18/h3-9,14-15H,2,10-13,16H2,1H3
InChIKeyWCQVGANWGSQLOX-UHFFFAOYSA-N
XLogP4.78
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-7-fluoro-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[2-ethyl-7-fluoro-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine (CID 56959530) is 4-[2-ethyl-7-fluoro-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[2-ethyl-7-fluoro-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[2-ethyl-7-fluoro-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine is CCc1nc2c(F)cc(N3CCOCC3)cc2n1Cc1cccc2ccccc12.
What is the InChIKey of 4-[2-ethyl-7-fluoro-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine?
The InChIKey is WCQVGANWGSQLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O/c1-2-23-26-24-21(25)14-19(27-10-12-29-13-11-27)15-22(24)28(23)16-18-8-5-7-17-6-3-4-9-20(17)18/h3-9,14-15H,2,10-13,16H2,1H3.
What are the key properties of 4-[2-ethyl-7-fluoro-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine?
4-[2-ethyl-7-fluoro-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine has a molecular weight of 389.47 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-7-fluoro-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine is sourced from PubChem (CID 56959530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).