4-[3-[4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)imidazol-1-yl]propyl]morpholine

C22H25FN4O — CID 10571824

IUPAC4-[3-[4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)imidazol-1-yl]propyl]morpholine
SMILESCc1cc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)ccn1
InChIInChI=1S/C22H25FN4O/c1-17-15-19(7-8-24-17)22-21(18-3-5-20(23)6-4-18)25-16-27(22)10-2-9-26-11-13-28-14-12-26/h3-8,15-16H,2,9-14H2,1H3
InChIKeyKCUQHXZKXUPMGH-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.78
Rot. Bonds6

About 4-[3-[4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)imidazol-1-yl]propyl]morpholine

4-[3-[4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)imidazol-1-yl]propyl]morpholine (PubChem CID 10571824) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is 4-[3-[4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)imidazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)imidazol-1-yl]propyl]morpholine
PubChem CID10571824
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name4-[3-[4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)imidazol-1-yl]propyl]morpholine
SMILESCc1cc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)ccn1
InChIInChI=1S/C22H25FN4O/c1-17-15-19(7-8-24-17)22-21(18-3-5-20(23)6-4-18)25-16-27(22)10-2-9-26-11-13-28-14-12-26/h3-8,15-16H,2,9-14H2,1H3
InChIKeyKCUQHXZKXUPMGH-UHFFFAOYSA-N
XLogP3.78
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)imidazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)imidazol-1-yl]propyl]morpholine (CID 10571824) is 4-[3-[4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)imidazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)imidazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)imidazol-1-yl]propyl]morpholine is Cc1cc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)ccn1.
What is the InChIKey of 4-[3-[4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)imidazol-1-yl]propyl]morpholine?
The InChIKey is KCUQHXZKXUPMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-17-15-19(7-8-24-17)22-21(18-3-5-20(23)6-4-18)25-16-27(22)10-2-9-26-11-13-28-14-12-26/h3-8,15-16H,2,9-14H2,1H3.
What are the key properties of 4-[3-[4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)imidazol-1-yl]propyl]morpholine?
4-[3-[4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)imidazol-1-yl]propyl]morpholine has a molecular weight of 380.47 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)imidazol-1-yl]propyl]morpholine is sourced from PubChem (CID 10571824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).