1-(3,5-difluorophenyl)-3-(1H-imidazol-2-ylmethyl)urea

C11H10F2N4O — CID 75389672

IUPAC1-(3,5-difluorophenyl)-3-(1H-imidazol-2-ylmethyl)urea
SMILESO=C(NCc1ncc[nH]1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C11H10F2N4O/c12-7-3-8(13)5-9(4-7)17-11(18)16-6-10-14-1-2-15-10/h1-5H,6H2,(H,14,15)(H2,16,17,18)
InChIKeyZMMRTEKQJNIWCL-UHFFFAOYSA-N
MW252.22 g/mol
LogP2.01
Rot. Bonds3

About 1-(3,5-difluorophenyl)-3-(1H-imidazol-2-ylmethyl)urea

1-(3,5-difluorophenyl)-3-(1H-imidazol-2-ylmethyl)urea (PubChem CID 75389672) has the molecular formula C11H10F2N4O and a molecular weight of 252.22 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-(1H-imidazol-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-(1H-imidazol-2-ylmethyl)urea
PubChem CID75389672
Molecular FormulaC11H10F2N4O
Molecular Weight252.22 g/mol
Exact Mass252.08
IUPAC Name1-(3,5-difluorophenyl)-3-(1H-imidazol-2-ylmethyl)urea
SMILESO=C(NCc1ncc[nH]1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C11H10F2N4O/c12-7-3-8(13)5-9(4-7)17-11(18)16-6-10-14-1-2-15-10/h1-5H,6H2,(H,14,15)(H2,16,17,18)
InChIKeyZMMRTEKQJNIWCL-UHFFFAOYSA-N
XLogP2.01
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea
CID 64531467
2-[4-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]acetic acid
CID 64524531
1-(2-chlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea
CID 22439180
3-[4-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]propanoic acid
CID 115340971
1-(1H-imidazol-2-ylmethyl)-3-(2H-tetrazol-5-yl)urea
CID 154364354
1-(1H-imidazol-2-ylmethyl)-3-[2-(3,4,5-trifluorophenyl)phenyl]urea
CID 75438861
N-[3-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide
CID 75438864
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea
CID 64524358
3-hydroxy-4-(1H-imidazol-2-ylmethylcarbamoylamino)benzoic acid
CID 64525123
1-(1H-imidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)urea
CID 75389671
2-(1H-imidazol-2-ylmethylamino)-2-oxoacetic acid
CID 64524937
2-(1H-imidazol-2-ylmethylcarbamoylamino)-4-methoxybenzoic acid
CID 115412295

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-(1H-imidazol-2-ylmethyl)urea?
The IUPAC name of 1-(3,5-difluorophenyl)-3-(1H-imidazol-2-ylmethyl)urea (CID 75389672) is 1-(3,5-difluorophenyl)-3-(1H-imidazol-2-ylmethyl)urea.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-(1H-imidazol-2-ylmethyl)urea?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-(1H-imidazol-2-ylmethyl)urea is O=C(NCc1ncc[nH]1)Nc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-(1H-imidazol-2-ylmethyl)urea?
The InChIKey is ZMMRTEKQJNIWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O/c12-7-3-8(13)5-9(4-7)17-11(18)16-6-10-14-1-2-15-10/h1-5H,6H2,(H,14,15)(H2,16,17,18).
What are the key properties of 1-(3,5-difluorophenyl)-3-(1H-imidazol-2-ylmethyl)urea?
1-(3,5-difluorophenyl)-3-(1H-imidazol-2-ylmethyl)urea has a molecular weight of 252.22 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-(1H-imidazol-2-ylmethyl)urea is sourced from PubChem (CID 75389672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).