1-(3-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea

C12H13FN4O — CID 65231550

IUPAC1-(3-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
SMILESO=C(NCCc1cnc[nH]1)Nc1cccc(F)c1
InChIInChI=1S/C12H13FN4O/c13-9-2-1-3-10(6-9)17-12(18)15-5-4-11-7-14-8-16-11/h1-3,6-8H,4-5H2,(H,14,16)(H2,15,17,18)
InChIKeyISAYNKUZWXPUNM-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.91
Rot. Bonds4

About 1-(3-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea

1-(3-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea (PubChem CID 65231550) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
PubChem CID65231550
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name1-(3-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
SMILESO=C(NCCc1cnc[nH]1)Nc1cccc(F)c1
InChIInChI=1S/C12H13FN4O/c13-9-2-1-3-10(6-9)17-12(18)15-5-4-11-7-14-8-16-11/h1-3,6-8H,4-5H2,(H,14,16)(H2,15,17,18)
InChIKeyISAYNKUZWXPUNM-UHFFFAOYSA-N
XLogP1.91
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(3-fluorophenyl)carbamoylamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104894385
copper;tetrakis(1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methylphenyl)urea);dichloride
CID 139185524
1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methoxyphenyl)urea
CID 65231458
1-(4-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]thiourea
CID 4874785
2-hydroxy-3-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]benzoic acid
CID 104833760
1-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 65231540
1-[2-[(3,5-dimethyl-4-pyridinyl)amino]ethyl]-3-(3-fluorophenyl)urea
CID 134359780
2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-6-methylbenzoic acid
CID 65231525
N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide
CID 47192808
N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 51290594
2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide
CID 118789686
3-chloro-4-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]benzoic acid
CID 65231714

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea (CID 65231550) is 1-(3-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea is O=C(NCCc1cnc[nH]1)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea?
The InChIKey is ISAYNKUZWXPUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c13-9-2-1-3-10(6-9)17-12(18)15-5-4-11-7-14-8-16-11/h1-3,6-8H,4-5H2,(H,14,16)(H2,15,17,18).
What are the key properties of 1-(3-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea?
1-(3-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea has a molecular weight of 248.26 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea is sourced from PubChem (CID 65231550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).