N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide

C16H13F2N3O — CID 82252406

IUPACN-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide
SMILESO=C(Nc1cccc(C2=NCCN2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H13F2N3O/c17-13-5-4-11(9-14(13)18)16(22)21-12-3-1-2-10(8-12)15-19-6-7-20-15/h1-5,8-9H,6-7H2,(H,19,20)(H,21,22)
InChIKeyXRLSPYDGROSRGD-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.57
Rot. Bonds3

About N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide

N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide (PubChem CID 82252406) has the molecular formula C16H13F2N3O and a molecular weight of 301.30 g/mol. Its IUPAC name is N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide
PubChem CID82252406
Molecular FormulaC16H13F2N3O
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC NameN-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide
SMILESO=C(Nc1cccc(C2=NCCN2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H13F2N3O/c17-13-5-4-11(9-14(13)18)16(22)21-12-3-1-2-10(8-12)15-19-6-7-20-15/h1-5,8-9H,6-7H2,(H,19,20)(H,21,22)
InChIKeyXRLSPYDGROSRGD-UHFFFAOYSA-N
XLogP2.57
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-(dimethylamino)benzamide
CID 82252612
1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
CID 20563379
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 82253063
1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-phenylurea
CID 66919843
N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]but-2-enediamide;dihydrochloride
CID 131880365
3-[(4-carbamothioylphenyl)carbamoylamino]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzamide
CID 21139769
CID 89119273
CID 89119273
3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49034784
2,5-dichloro-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82252888
1-(2,5-dichlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
CID 66919885
1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide;methanesulfonic acid
CID 76853602
1-(2,5-dichlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride
CID 66919884

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide?
The IUPAC name of N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide (CID 82252406) is N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide is O=C(Nc1cccc(C2=NCCN2)c1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide?
The InChIKey is XRLSPYDGROSRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O/c17-13-5-4-11(9-14(13)18)16(22)21-12-3-1-2-10(8-12)15-19-6-7-20-15/h1-5,8-9H,6-7H2,(H,19,20)(H,21,22).
What are the key properties of N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide?
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide has a molecular weight of 301.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide is sourced from PubChem (CID 82252406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).