N-[2-(2-chloro-4-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine

C17H17ClFN3 — CID 11961273

IUPACN-[2-(2-chloro-4-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1ccc(CC(NC2=NCCN2)c2ccccc2)c(Cl)c1
InChIInChI=1S/C17H17ClFN3/c18-15-11-14(19)7-6-13(15)10-16(12-4-2-1-3-5-12)22-17-20-8-9-21-17/h1-7,11,16H,8-10H2,(H2,20,21,22)
InChIKeyYQZXLCLLZDIHTE-UHFFFAOYSA-N
MW317.80 g/mol
LogP3.31
Rot. Bonds4

About N-[2-(2-chloro-4-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine

N-[2-(2-chloro-4-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 11961273) has the molecular formula C17H17ClFN3 and a molecular weight of 317.80 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID11961273
Molecular FormulaC17H17ClFN3
Molecular Weight317.80 g/mol
Exact Mass317.11
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1ccc(CC(NC2=NCCN2)c2ccccc2)c(Cl)c1
InChIInChI=1S/C17H17ClFN3/c18-15-11-14(19)7-6-13(15)10-16(12-4-2-1-3-5-12)22-17-20-8-9-21-17/h1-7,11,16H,8-10H2,(H2,20,21,22)
InChIKeyYQZXLCLLZDIHTE-UHFFFAOYSA-N
XLogP3.31
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine;formic acid
CID 25032490
N-[(4-chlorophenyl)-phenylmethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 22751285
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
N-[(2-chloro-4-fluorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 103605736
N-[1-(2,3-dichlorophenyl)-3-phenylpropyl]-4,5-dihydro-1H-imidazol-2-amine
CID 44515598
[2-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)ethyl]hydrazine
CID 105295206
3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-(4-hydroxyphenyl)ethyl]benzonitrile
CID 25032493
[2-(2,4-dichlorophenyl)-1-phenylethyl]hydrazine
CID 105199352
1-(2-chloro-4-fluorophenyl)-3-phenylsulfanylpropan-2-ol
CID 65142299
2-[(2-chloro-4-fluorophenyl)methylamino]-1-phenylethanol
CID 43393572
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(4-propylphenyl)ethanamine
CID 63419902
[2-(2-chloro-4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105190734

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine (CID 11961273) is N-[2-(2-chloro-4-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine is Fc1ccc(CC(NC2=NCCN2)c2ccccc2)c(Cl)c1.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is YQZXLCLLZDIHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3/c18-15-11-14(19)7-6-13(15)10-16(12-4-2-1-3-5-12)22-17-20-8-9-21-17/h1-7,11,16H,8-10H2,(H2,20,21,22).
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[2-(2-chloro-4-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 317.80 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 11961273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).