1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1H-imidazol-5-yl)urea

C15H17FN4O2 — CID 69484317

IUPAC1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1H-imidazol-5-yl)urea
SMILESCC1(C)CC(NC(=O)Nc2cnc[nH]2)c2ccc(F)cc2O1
InChIInChI=1S/C15H17FN4O2/c1-15(2)6-11(10-4-3-9(16)5-12(10)22-15)19-14(21)20-13-7-17-8-18-13/h3-5,7-8,11H,6H2,1-2H3,(H,17,18)(H2,19,20,21)
InChIKeyGMLNJVIHIABYKJ-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.97
Rot. Bonds2

About 1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1H-imidazol-5-yl)urea

1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1H-imidazol-5-yl)urea (PubChem CID 69484317) has the molecular formula C15H17FN4O2 and a molecular weight of 304.33 g/mol. Its IUPAC name is 1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1H-imidazol-5-yl)urea.

Molecular Properties

Compound Name1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1H-imidazol-5-yl)urea
PubChem CID69484317
Molecular FormulaC15H17FN4O2
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC Name1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1H-imidazol-5-yl)urea
SMILESCC1(C)CC(NC(=O)Nc2cnc[nH]2)c2ccc(F)cc2O1
InChIInChI=1S/C15H17FN4O2/c1-15(2)6-11(10-4-3-9(16)5-12(10)22-15)19-14(21)20-13-7-17-8-18-13/h3-5,7-8,11H,6H2,1-2H3,(H,17,18)(H2,19,20,21)
InChIKeyGMLNJVIHIABYKJ-UHFFFAOYSA-N
XLogP2.97
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1H-imidazol-5-yl)urea?
The IUPAC name of 1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1H-imidazol-5-yl)urea (CID 69484317) is 1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1H-imidazol-5-yl)urea.
What is the SMILES notation for 1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1H-imidazol-5-yl)urea?
The canonical SMILES for 1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1H-imidazol-5-yl)urea is CC1(C)CC(NC(=O)Nc2cnc[nH]2)c2ccc(F)cc2O1.
What is the InChIKey of 1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1H-imidazol-5-yl)urea?
The InChIKey is GMLNJVIHIABYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-15(2)6-11(10-4-3-9(16)5-12(10)22-15)19-14(21)20-13-7-17-8-18-13/h3-5,7-8,11H,6H2,1-2H3,(H,17,18)(H2,19,20,21).
What are the key properties of 1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1H-imidazol-5-yl)urea?
1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1H-imidazol-5-yl)urea has a molecular weight of 304.33 g/mol, XLogP of 2.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1H-imidazol-5-yl)urea is sourced from PubChem (CID 69484317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).