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

C23H22FN3O — CID 56959382

IUPAC4-[7-fluoro-2-methyl-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine
SMILESCc1nc2c(F)cc(N3CCOCC3)cc2n1Cc1cccc2ccccc12
InChIInChI=1S/C23H22FN3O/c1-16-25-23-21(24)13-19(26-9-11-28-12-10-26)14-22(23)27(16)15-18-7-4-6-17-5-2-3-8-20(17)18/h2-8,13-14H,9-12,15H2,1H3
InChIKeyGDRAKNDUKWAGIF-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.52
Rot. Bonds3

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

4-[7-fluoro-2-methyl-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine (PubChem CID 56959382) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-[7-fluoro-2-methyl-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[7-fluoro-2-methyl-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine
PubChem CID56959382
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name4-[7-fluoro-2-methyl-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine
SMILESCc1nc2c(F)cc(N3CCOCC3)cc2n1Cc1cccc2ccccc12
InChIInChI=1S/C23H22FN3O/c1-16-25-23-21(24)13-19(26-9-11-28-12-10-26)14-22(23)27(16)15-18-7-4-6-17-5-2-3-8-20(17)18/h2-8,13-14H,9-12,15H2,1H3
InChIKeyGDRAKNDUKWAGIF-UHFFFAOYSA-N
XLogP4.52
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[7-fluoro-2-methyl-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[7-fluoro-2-methyl-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine (CID 56959382) is 4-[7-fluoro-2-methyl-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[7-fluoro-2-methyl-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[7-fluoro-2-methyl-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine is Cc1nc2c(F)cc(N3CCOCC3)cc2n1Cc1cccc2ccccc12.
What is the InChIKey of 4-[7-fluoro-2-methyl-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine?
The InChIKey is GDRAKNDUKWAGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c1-16-25-23-21(24)13-19(26-9-11-28-12-10-26)14-22(23)27(16)15-18-7-4-6-17-5-2-3-8-20(17)18/h2-8,13-14H,9-12,15H2,1H3.
What are the key properties of 4-[7-fluoro-2-methyl-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine?
4-[7-fluoro-2-methyl-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine has a molecular weight of 375.45 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-fluoro-2-methyl-3-(naphthalen-1-ylmethyl)benzimidazol-5-yl]morpholine is sourced from PubChem (CID 56959382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).