N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline

C17H19N3 — CID 2200

IUPACN-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
SMILESc1ccc(CN(CC2=NCCN2)c2ccccc2)cc1
InChIInChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
InChIKeyREYFJDPCWQRWAA-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.69
Rot. Bonds5

About N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline

N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline (PubChem CID 2200) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
PubChem CID2200
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
SMILESc1ccc(CN(CC2=NCCN2)c2ccccc2)cc1
InChIInChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
InChIKeyREYFJDPCWQRWAA-UHFFFAOYSA-N
XLogP2.69
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline 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

Antazoline Hydrochloride
CID 17275
Imidocarb
CID 21389
Antazoline Phosphate
CID 158798
N,N'-Di-o-tolylethylenediamine
CID 66759
Phenamazoline
CID 3084422
N,N'-Diphenylbenzamidine
CID 75709
2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole
CID 10219857
1-phenyl-4-[[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]methyl]piperazine;hydrochloride
CID 10247719
2-(4,5-dihydro-1H-imidazol-2-yl)-1-prop-2-enyl-2,3-dihydroindole
CID 13473021
2-(4,5-Dihydro-1H-imidazol-2-yl)-1-ethyl-2,3-dihydro-1H-indole
CID 13869744
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-phenylaniline
CID 44352155
1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methylphenyl)-3-phenylurea
CID 1594702

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
The IUPAC name of N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline (CID 2200) is N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline.
What is the SMILES notation for N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
The canonical SMILES for N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline is c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
The InChIKey is REYFJDPCWQRWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19).
What are the key properties of N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline has a molecular weight of 265.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline is sourced from PubChem (CID 2200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).