4-chloro-2,5-dimethoxy-N-[(1-propan-2-ylimidazol-2-yl)methyl]aniline

C15H20ClN3O2 — CID 84586952

IUPAC4-chloro-2,5-dimethoxy-N-[(1-propan-2-ylimidazol-2-yl)methyl]aniline
SMILESCOc1cc(NCc2nccn2C(C)C)c(OC)cc1Cl
InChIInChI=1S/C15H20ClN3O2/c1-10(2)19-6-5-17-15(19)9-18-12-8-13(20-3)11(16)7-14(12)21-4/h5-8,10,18H,9H2,1-4H3
InChIKeyXJIMPPVFDJXSLT-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.75
Rot. Bonds6

About 4-chloro-2,5-dimethoxy-N-[(1-propan-2-ylimidazol-2-yl)methyl]aniline

4-chloro-2,5-dimethoxy-N-[(1-propan-2-ylimidazol-2-yl)methyl]aniline (PubChem CID 84586952) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 4-chloro-2,5-dimethoxy-N-[(1-propan-2-ylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-2,5-dimethoxy-N-[(1-propan-2-ylimidazol-2-yl)methyl]aniline
PubChem CID84586952
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name4-chloro-2,5-dimethoxy-N-[(1-propan-2-ylimidazol-2-yl)methyl]aniline
SMILESCOc1cc(NCc2nccn2C(C)C)c(OC)cc1Cl
InChIInChI=1S/C15H20ClN3O2/c1-10(2)19-6-5-17-15(19)9-18-12-8-13(20-3)11(16)7-14(12)21-4/h5-8,10,18H,9H2,1-4H3
InChIKeyXJIMPPVFDJXSLT-UHFFFAOYSA-N
XLogP3.75
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2,5-dimethoxy-N-[(1-propan-2-ylimidazol-2-yl)methyl]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

4-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxy-5-methylaniline
CID 43112044
N-(4-chloro-2-methoxy-5-methylphenyl)-1-propan-2-ylimidazol-2-amine
CID 106556110
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethoxyaniline
CID 115866170
4-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methoxybenzonitrile
CID 104843644
4-chloro-2,5-dimethoxy-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662273
2-chloro-4,5-dimethoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66131103
2-(4-chloro-2,5-dimethoxyanilino)acetonitrile
CID 28572786
2-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(propan-2-yloxymethyl)aniline
CID 84586744
N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopentanamine
CID 117187481
5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,4-dimethoxyaniline
CID 115761863
2-(2-methoxyethoxy)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
CID 91790838
2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-fluoroaniline
CID 83078879

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethoxy-N-[(1-propan-2-ylimidazol-2-yl)methyl]aniline?
The IUPAC name of 4-chloro-2,5-dimethoxy-N-[(1-propan-2-ylimidazol-2-yl)methyl]aniline (CID 84586952) is 4-chloro-2,5-dimethoxy-N-[(1-propan-2-ylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 4-chloro-2,5-dimethoxy-N-[(1-propan-2-ylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 4-chloro-2,5-dimethoxy-N-[(1-propan-2-ylimidazol-2-yl)methyl]aniline is COc1cc(NCc2nccn2C(C)C)c(OC)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethoxy-N-[(1-propan-2-ylimidazol-2-yl)methyl]aniline?
The InChIKey is XJIMPPVFDJXSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-10(2)19-6-5-17-15(19)9-18-12-8-13(20-3)11(16)7-14(12)21-4/h5-8,10,18H,9H2,1-4H3.
What are the key properties of 4-chloro-2,5-dimethoxy-N-[(1-propan-2-ylimidazol-2-yl)methyl]aniline?
4-chloro-2,5-dimethoxy-N-[(1-propan-2-ylimidazol-2-yl)methyl]aniline has a molecular weight of 309.80 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethoxy-N-[(1-propan-2-ylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 84586952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).