N-[2-(2-chloro-6-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine

C17H17ClFN3 — CID 25032749

IUPACN-[2-(2-chloro-6-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1cccc(Cl)c1CC(NC1=NCCN1)c1ccccc1
InChIInChI=1S/C17H17ClFN3/c18-14-7-4-8-15(19)13(14)11-16(12-5-2-1-3-6-12)22-17-20-9-10-21-17/h1-8,16H,9-11H2,(H2,20,21,22)
InChIKeyCUWMFMVSNGWQQR-UHFFFAOYSA-N
MW317.80 g/mol
LogP3.31
Rot. Bonds4

About N-[2-(2-chloro-6-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine

N-[2-(2-chloro-6-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 25032749) has the molecular formula C17H17ClFN3 and a molecular weight of 317.80 g/mol. Its IUPAC name is N-[2-(2-chloro-6-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-chloro-6-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID25032749
Molecular FormulaC17H17ClFN3
Molecular Weight317.80 g/mol
Exact Mass317.11
IUPAC NameN-[2-(2-chloro-6-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1cccc(Cl)c1CC(NC1=NCCN1)c1ccccc1
InChIInChI=1S/C17H17ClFN3/c18-14-7-4-8-15(19)13(14)11-16(12-5-2-1-3-6-12)22-17-20-9-10-21-17/h1-8,16H,9-11H2,(H2,20,21,22)
InChIKeyCUWMFMVSNGWQQR-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine (CID 25032749) is N-[2-(2-chloro-6-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[2-(2-chloro-6-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[2-(2-chloro-6-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine is Fc1cccc(Cl)c1CC(NC1=NCCN1)c1ccccc1.
What is the InChIKey of N-[2-(2-chloro-6-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is CUWMFMVSNGWQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3/c18-14-7-4-8-15(19)13(14)11-16(12-5-2-1-3-6-12)22-17-20-9-10-21-17/h1-8,16H,9-11H2,(H2,20,21,22).
What are the key properties of N-[2-(2-chloro-6-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[2-(2-chloro-6-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-6-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 25032749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).