N-[[2-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-5-(trifluoromethyl)phenyl]phenyl]methyl]formamide

C18H17F3N4O — CID 173309237

IUPACN-[[2-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-5-(trifluoromethyl)phenyl]phenyl]methyl]formamide
SMILESO=CNCc1ccccc1-c1cc(NC2=NCCN2)cc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N4O/c19-18(20,21)14-7-13(8-15(9-14)25-17-23-5-6-24-17)16-4-2-1-3-12(16)10-22-11-26/h1-4,7-9,11H,5-6,10H2,(H,22,26)(H2,23,24,25)
InChIKeyHTRTVQMIVTUZKU-UHFFFAOYSA-N
MW362.36 g/mol
LogP2.99
Rot. Bonds5

About N-[[2-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-5-(trifluoromethyl)phenyl]phenyl]methyl]formamide

N-[[2-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-5-(trifluoromethyl)phenyl]phenyl]methyl]formamide (PubChem CID 173309237) has the molecular formula C18H17F3N4O and a molecular weight of 362.36 g/mol. Its IUPAC name is N-[[2-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-5-(trifluoromethyl)phenyl]phenyl]methyl]formamide.

Molecular Properties

Compound NameN-[[2-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-5-(trifluoromethyl)phenyl]phenyl]methyl]formamide
PubChem CID173309237
Molecular FormulaC18H17F3N4O
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC NameN-[[2-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-5-(trifluoromethyl)phenyl]phenyl]methyl]formamide
SMILESO=CNCc1ccccc1-c1cc(NC2=NCCN2)cc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N4O/c19-18(20,21)14-7-13(8-15(9-14)25-17-23-5-6-24-17)16-4-2-1-3-12(16)10-22-11-26/h1-4,7-9,11H,5-6,10H2,(H,22,26)(H2,23,24,25)
InChIKeyHTRTVQMIVTUZKU-UHFFFAOYSA-N
XLogP2.99
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-5-(trifluoromethyl)phenyl]phenyl]methyl]formamide?
The IUPAC name of N-[[2-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-5-(trifluoromethyl)phenyl]phenyl]methyl]formamide (CID 173309237) is N-[[2-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-5-(trifluoromethyl)phenyl]phenyl]methyl]formamide.
What is the SMILES notation for N-[[2-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-5-(trifluoromethyl)phenyl]phenyl]methyl]formamide?
The canonical SMILES for N-[[2-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-5-(trifluoromethyl)phenyl]phenyl]methyl]formamide is O=CNCc1ccccc1-c1cc(NC2=NCCN2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[2-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-5-(trifluoromethyl)phenyl]phenyl]methyl]formamide?
The InChIKey is HTRTVQMIVTUZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O/c19-18(20,21)14-7-13(8-15(9-14)25-17-23-5-6-24-17)16-4-2-1-3-12(16)10-22-11-26/h1-4,7-9,11H,5-6,10H2,(H,22,26)(H2,23,24,25).
What are the key properties of N-[[2-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-5-(trifluoromethyl)phenyl]phenyl]methyl]formamide?
N-[[2-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-5-(trifluoromethyl)phenyl]phenyl]methyl]formamide has a molecular weight of 362.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-5-(trifluoromethyl)phenyl]phenyl]methyl]formamide is sourced from PubChem (CID 173309237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).