N-benzyl-N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-2,4-dichloroaniline

C21H25Cl2N3 — CID 57061916

IUPACN-benzyl-N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-2,4-dichloroaniline
SMILESCCCCN1CCN=C1CN(Cc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H25Cl2N3/c1-2-3-12-25-13-11-24-21(25)16-26(15-17-7-5-4-6-8-17)20-10-9-18(22)14-19(20)23/h4-10,14H,2-3,11-13,15-16H2,1H3
InChIKeyGRFZXVYCZGYNMR-UHFFFAOYSA-N
MW390.36 g/mol
LogP5.51
Rot. Bonds8

About N-benzyl-N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-2,4-dichloroaniline

N-benzyl-N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-2,4-dichloroaniline (PubChem CID 57061916) has the molecular formula C21H25Cl2N3 and a molecular weight of 390.36 g/mol. Its IUPAC name is N-benzyl-N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-2,4-dichloroaniline.

Molecular Properties

Compound NameN-benzyl-N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-2,4-dichloroaniline
PubChem CID57061916
Molecular FormulaC21H25Cl2N3
Molecular Weight390.36 g/mol
Exact Mass389.14
IUPAC NameN-benzyl-N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-2,4-dichloroaniline
SMILESCCCCN1CCN=C1CN(Cc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H25Cl2N3/c1-2-3-12-25-13-11-24-21(25)16-26(15-17-7-5-4-6-8-17)20-10-9-18(22)14-19(20)23/h4-10,14H,2-3,11-13,15-16H2,1H3
InChIKeyGRFZXVYCZGYNMR-UHFFFAOYSA-N
XLogP5.51
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.36
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-2,4-dichloroaniline 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

N-benzyl-N-[(1-pentyl-4,5-dihydroimidazol-2-yl)methyl]aniline
CID 15227534
N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)aniline
CID 57041238
N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-phenylmethanamine
CID 4542426
8-chloro-10-pentyl-5-phenyl-3,5-dihydro-2H-imidazo[2,1-b]quinazoline
CID 23336409
1-pentyl-2-undecyl-4,5-dihydroimidazole
CID 67928425
11-butyl-9-chloro-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline
CID 23336432
2-[[benzyl-[[(2S)-1-butylpyrrolidin-2-yl]methyl]amino]methyl]-4,6-dichlorophenol
CID 132515735
1-benzyl-2-(2-phenylethyl)-4,5-dihydroimidazole
CID 86006012
2-(2-benzyl-4,5-dihydroimidazol-1-yl)ethanol;hydrochloride
CID 54609781
10-butyl-8-chloro-7-methyl-5-phenyl-3,5-dihydro-2H-imidazo[2,1-b]quinazoline
CID 23336443
1-butyl-7-chloro-5-phenyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 21484739
1-benzyl-4-butylpiperazine;ethane
CID 90954358

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-2,4-dichloroaniline?
The IUPAC name of N-benzyl-N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-2,4-dichloroaniline (CID 57061916) is N-benzyl-N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-2,4-dichloroaniline.
What is the SMILES notation for N-benzyl-N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-2,4-dichloroaniline?
The canonical SMILES for N-benzyl-N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-2,4-dichloroaniline is CCCCN1CCN=C1CN(Cc1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-benzyl-N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-2,4-dichloroaniline?
The InChIKey is GRFZXVYCZGYNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3/c1-2-3-12-25-13-11-24-21(25)16-26(15-17-7-5-4-6-8-17)20-10-9-18(22)14-19(20)23/h4-10,14H,2-3,11-13,15-16H2,1H3.
What are the key properties of N-benzyl-N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-2,4-dichloroaniline?
N-benzyl-N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-2,4-dichloroaniline has a molecular weight of 390.36 g/mol, XLogP of 5.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-2,4-dichloroaniline is sourced from PubChem (CID 57061916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).