[3-benzyl-5-(2-chloro-4-fluorophenyl)-4,5-dihydroimidazol-4-yl]methanamine

C17H17ClFN3 — CID 143554109

IUPAC[3-benzyl-5-(2-chloro-4-fluorophenyl)-4,5-dihydroimidazol-4-yl]methanamine
SMILESNCC1C(c2ccc(F)cc2Cl)N=CN1Cc1ccccc1
InChIInChI=1S/C17H17ClFN3/c18-15-8-13(19)6-7-14(15)17-16(9-20)22(11-21-17)10-12-4-2-1-3-5-12/h1-8,11,16-17H,9-10,20H2
InChIKeySNWFJYIWPBDOGY-UHFFFAOYSA-N
MW317.80 g/mol
LogP3.39
Rot. Bonds4

About [3-benzyl-5-(2-chloro-4-fluorophenyl)-4,5-dihydroimidazol-4-yl]methanamine

[3-benzyl-5-(2-chloro-4-fluorophenyl)-4,5-dihydroimidazol-4-yl]methanamine (PubChem CID 143554109) has the molecular formula C17H17ClFN3 and a molecular weight of 317.80 g/mol. Its IUPAC name is [3-benzyl-5-(2-chloro-4-fluorophenyl)-4,5-dihydroimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-benzyl-5-(2-chloro-4-fluorophenyl)-4,5-dihydroimidazol-4-yl]methanamine
PubChem CID143554109
Molecular FormulaC17H17ClFN3
Molecular Weight317.80 g/mol
Exact Mass317.11
IUPAC Name[3-benzyl-5-(2-chloro-4-fluorophenyl)-4,5-dihydroimidazol-4-yl]methanamine
SMILESNCC1C(c2ccc(F)cc2Cl)N=CN1Cc1ccccc1
InChIInChI=1S/C17H17ClFN3/c18-15-8-13(19)6-7-14(15)17-16(9-20)22(11-21-17)10-12-4-2-1-3-5-12/h1-8,11,16-17H,9-10,20H2
InChIKeySNWFJYIWPBDOGY-UHFFFAOYSA-N
XLogP3.39
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-benzyl-5-(2-chloro-4-fluorophenyl)-4,5-dihydroimidazol-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,5S)-2-[2-(2-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388794
1-(2-(2-Chlorophenyl)-1-(3-fluorophenyl)ethyl)piperazine
CID 44414690
1-(2-(2-Chlorophenyl)-1-(4-fluorophenyl)ethyl)piperazine
CID 44414692
1-(2-(2-Chlorophenyl)-1-(2-fluorophenyl)ethyl)piperazine
CID 44414762
(4S,5R)-4,5-bis(2-chlorophenyl)-N-[(3-fluorophenyl)methyl]imidazolidin-2-imine
CID 136018716
2-(2-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 44269138
(4R,5S)-2-[(2-chlorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44389006
N-[(2-chloro-3-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
CID 166628449
N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
CID 166629706
1-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine
CID 9994508
4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethylpiperazine
CID 10494914
1-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-ethylpiperazine
CID 10542738

Frequently Asked Questions

What is the IUPAC name of [3-benzyl-5-(2-chloro-4-fluorophenyl)-4,5-dihydroimidazol-4-yl]methanamine?
The IUPAC name of [3-benzyl-5-(2-chloro-4-fluorophenyl)-4,5-dihydroimidazol-4-yl]methanamine (CID 143554109) is [3-benzyl-5-(2-chloro-4-fluorophenyl)-4,5-dihydroimidazol-4-yl]methanamine.
What is the SMILES notation for [3-benzyl-5-(2-chloro-4-fluorophenyl)-4,5-dihydroimidazol-4-yl]methanamine?
The canonical SMILES for [3-benzyl-5-(2-chloro-4-fluorophenyl)-4,5-dihydroimidazol-4-yl]methanamine is NCC1C(c2ccc(F)cc2Cl)N=CN1Cc1ccccc1.
What is the InChIKey of [3-benzyl-5-(2-chloro-4-fluorophenyl)-4,5-dihydroimidazol-4-yl]methanamine?
The InChIKey is SNWFJYIWPBDOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3/c18-15-8-13(19)6-7-14(15)17-16(9-20)22(11-21-17)10-12-4-2-1-3-5-12/h1-8,11,16-17H,9-10,20H2.
What are the key properties of [3-benzyl-5-(2-chloro-4-fluorophenyl)-4,5-dihydroimidazol-4-yl]methanamine?
[3-benzyl-5-(2-chloro-4-fluorophenyl)-4,5-dihydroimidazol-4-yl]methanamine has a molecular weight of 317.80 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-benzyl-5-(2-chloro-4-fluorophenyl)-4,5-dihydroimidazol-4-yl]methanamine is sourced from PubChem (CID 143554109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).