4-[2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]ethyl]morpholine

C22H22FN5O — CID 25165481

IUPAC4-[2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]ethyl]morpholine
SMILESFc1ccc(-c2ncn(CCN3CCOCC3)c2-c2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C22H22FN5O/c23-19-4-1-16(2-5-19)21-22(17-3-6-20-18(13-17)14-25-26-20)28(15-24-21)8-7-27-9-11-29-12-10-27/h1-6,13-15H,7-12H2,(H,25,26)
InChIKeyRVPSPMYVDLPRIK-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.56
Rot. Bonds5

About 4-[2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]ethyl]morpholine

4-[2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]ethyl]morpholine (PubChem CID 25165481) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-[2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]ethyl]morpholine
PubChem CID25165481
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC Name4-[2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]ethyl]morpholine
SMILESFc1ccc(-c2ncn(CCN3CCOCC3)c2-c2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C22H22FN5O/c23-19-4-1-16(2-5-19)21-22(17-3-6-20-18(13-17)14-25-26-20)28(15-24-21)8-7-27-9-11-29-12-10-27/h1-6,13-15H,7-12H2,(H,25,26)
InChIKeyRVPSPMYVDLPRIK-UHFFFAOYSA-N
XLogP3.56
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]ethyl]morpholine (CID 25165481) is 4-[2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]ethyl]morpholine is Fc1ccc(-c2ncn(CCN3CCOCC3)c2-c2ccc3[nH]ncc3c2)cc1.
What is the InChIKey of 4-[2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]ethyl]morpholine?
The InChIKey is RVPSPMYVDLPRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c23-19-4-1-16(2-5-19)21-22(17-3-6-20-18(13-17)14-25-26-20)28(15-24-21)8-7-27-9-11-29-12-10-27/h1-6,13-15H,7-12H2,(H,25,26).
What are the key properties of 4-[2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]ethyl]morpholine?
4-[2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]ethyl]morpholine has a molecular weight of 391.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 25165481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).