N-[2-(3-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine;formic acid

C18H20FN3O2 — CID 25032490

IUPACN-[2-(3-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine;formic acid
SMILESFc1cccc(CC(NC2=NCCN2)c2ccccc2)c1.O=CO
InChIInChI=1S/C17H18FN3.CH2O2/c18-15-8-4-5-13(11-15)12-16(14-6-2-1-3-7-14)21-17-19-9-10-20-17;2-1-3/h1-8,11,16H,9-10,12H2,(H2,19,20,21);1H,(H,2,3)
InChIKeyFWNJUYPAOBEMHM-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.36
Rot. Bonds4

About N-[2-(3-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine;formic acid

N-[2-(3-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine;formic acid (PubChem CID 25032490) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine;formic acid.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine;formic acid
PubChem CID25032490
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-[2-(3-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine;formic acid
SMILESFc1cccc(CC(NC2=NCCN2)c2ccccc2)c1.O=CO
InChIInChI=1S/C17H18FN3.CH2O2/c18-15-8-4-5-13(11-15)12-16(14-6-2-1-3-7-14)21-17-19-9-10-20-17;2-1-3/h1-8,11,16H,9-10,12H2,(H2,19,20,21);1H,(H,2,3)
InChIKeyFWNJUYPAOBEMHM-UHFFFAOYSA-N
XLogP2.36
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chloro-4-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 11961273
3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-(4-hydroxyphenyl)ethyl]benzonitrile
CID 25032493
N-[2-(2-bromophenyl)-1-(2,3-dichlorophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine;N-[1-(3-chlorophenyl)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine;N-[1-(3-chlorophenyl)-2-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine;3-[2-(2,3-dichlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]phenol;N-[1-(2,3-dichlorophenyl)-2-(4-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine;N-(1,2-diphenylethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 159699957
(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-2-phenylethanol
CID 103788672
2-[1,2-bis(3-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975659
benzyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)propanoate
CID 170212082
3-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-2-(2-hydroxy-1-phenylethoxy)propanoic acid
CID 67615600
N-[1-(2,3-dichlorophenyl)-3-phenylpropyl]-4,5-dihydro-1H-imidazol-2-amine
CID 44515598
(2S)-2-(fluoroamino)-3-(3-fluorophenyl)propanoic acid
CID 172693012
(2R)-N-[(1R)-1,2-bis(3-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 95318346
N-[1,2-bis(3-fluorophenyl)ethyl]-2-methylsulfanylacetamide
CID 49011781
(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]-3-(3-fluorophenyl)propanoic acid
CID 135362053

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine;formic acid?
The IUPAC name of N-[2-(3-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine;formic acid (CID 25032490) is N-[2-(3-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine;formic acid.
What is the SMILES notation for N-[2-(3-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine;formic acid?
The canonical SMILES for N-[2-(3-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine;formic acid is Fc1cccc(CC(NC2=NCCN2)c2ccccc2)c1.O=CO.
What is the InChIKey of N-[2-(3-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine;formic acid?
The InChIKey is FWNJUYPAOBEMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3.CH2O2/c18-15-8-4-5-13(11-15)12-16(14-6-2-1-3-7-14)21-17-19-9-10-20-17;2-1-3/h1-8,11,16H,9-10,12H2,(H2,19,20,21);1H,(H,2,3).
What are the key properties of N-[2-(3-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine;formic acid?
N-[2-(3-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine;formic acid has a molecular weight of 329.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine;formic acid is sourced from PubChem (CID 25032490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).