6-[5-(4-fluorophenyl)-2-[(Z)-prop-1-enoxy]-2,3-dihydro-1H-imidazol-4-yl]-2-methyl-1,4-dihydropyrimidine

C17H19FN4O — CID 70831840

IUPAC6-[5-(4-fluorophenyl)-2-[(Z)-prop-1-enoxy]-2,3-dihydro-1H-imidazol-4-yl]-2-methyl-1,4-dihydropyrimidine
SMILESC/C=C\OC1NC(C2=CCN=C(C)N2)=C(c2ccc(F)cc2)N1
InChIInChI=1S/C17H19FN4O/c1-3-10-23-17-21-15(12-4-6-13(18)7-5-12)16(22-17)14-8-9-19-11(2)20-14/h3-8,10,17,21-22H,9H2,1-2H3,(H,19,20)/b10-3-
InChIKeyFIEOSEGVZASMII-KMKOMSMNSA-N
MW314.36 g/mol
LogP2.43
Rot. Bonds4

About 6-[5-(4-fluorophenyl)-2-[(Z)-prop-1-enoxy]-2,3-dihydro-1H-imidazol-4-yl]-2-methyl-1,4-dihydropyrimidine

6-[5-(4-fluorophenyl)-2-[(Z)-prop-1-enoxy]-2,3-dihydro-1H-imidazol-4-yl]-2-methyl-1,4-dihydropyrimidine (PubChem CID 70831840) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-2-[(Z)-prop-1-enoxy]-2,3-dihydro-1H-imidazol-4-yl]-2-methyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-2-[(Z)-prop-1-enoxy]-2,3-dihydro-1H-imidazol-4-yl]-2-methyl-1,4-dihydropyrimidine
PubChem CID70831840
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name6-[5-(4-fluorophenyl)-2-[(Z)-prop-1-enoxy]-2,3-dihydro-1H-imidazol-4-yl]-2-methyl-1,4-dihydropyrimidine
SMILESC/C=C\OC1NC(C2=CCN=C(C)N2)=C(c2ccc(F)cc2)N1
InChIInChI=1S/C17H19FN4O/c1-3-10-23-17-21-15(12-4-6-13(18)7-5-12)16(22-17)14-8-9-19-11(2)20-14/h3-8,10,17,21-22H,9H2,1-2H3,(H,19,20)/b10-3-
InChIKeyFIEOSEGVZASMII-KMKOMSMNSA-N
XLogP2.43
TPSA57.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-2-[(Z)-prop-1-enoxy]-2,3-dihydro-1H-imidazol-4-yl]-2-methyl-1,4-dihydropyrimidine?
The IUPAC name of 6-[5-(4-fluorophenyl)-2-[(Z)-prop-1-enoxy]-2,3-dihydro-1H-imidazol-4-yl]-2-methyl-1,4-dihydropyrimidine (CID 70831840) is 6-[5-(4-fluorophenyl)-2-[(Z)-prop-1-enoxy]-2,3-dihydro-1H-imidazol-4-yl]-2-methyl-1,4-dihydropyrimidine.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-2-[(Z)-prop-1-enoxy]-2,3-dihydro-1H-imidazol-4-yl]-2-methyl-1,4-dihydropyrimidine?
The canonical SMILES for 6-[5-(4-fluorophenyl)-2-[(Z)-prop-1-enoxy]-2,3-dihydro-1H-imidazol-4-yl]-2-methyl-1,4-dihydropyrimidine is C/C=C\OC1NC(C2=CCN=C(C)N2)=C(c2ccc(F)cc2)N1.
What is the InChIKey of 6-[5-(4-fluorophenyl)-2-[(Z)-prop-1-enoxy]-2,3-dihydro-1H-imidazol-4-yl]-2-methyl-1,4-dihydropyrimidine?
The InChIKey is FIEOSEGVZASMII-KMKOMSMNSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-3-10-23-17-21-15(12-4-6-13(18)7-5-12)16(22-17)14-8-9-19-11(2)20-14/h3-8,10,17,21-22H,9H2,1-2H3,(H,19,20)/b10-3-.
What are the key properties of 6-[5-(4-fluorophenyl)-2-[(Z)-prop-1-enoxy]-2,3-dihydro-1H-imidazol-4-yl]-2-methyl-1,4-dihydropyrimidine?
6-[5-(4-fluorophenyl)-2-[(Z)-prop-1-enoxy]-2,3-dihydro-1H-imidazol-4-yl]-2-methyl-1,4-dihydropyrimidine has a molecular weight of 314.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-2-[(Z)-prop-1-enoxy]-2,3-dihydro-1H-imidazol-4-yl]-2-methyl-1,4-dihydropyrimidine is sourced from PubChem (CID 70831840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).