N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-chloro-3-methoxyaniline

C15H19Cl2N3O — CID 107272155

IUPACN-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-chloro-3-methoxyaniline
SMILESCCCCc1nc(Cl)c(CNc2ccc(Cl)c(OC)c2)[nH]1
InChIInChI=1S/C15H19Cl2N3O/c1-3-4-5-14-19-12(15(17)20-14)9-18-10-6-7-11(16)13(8-10)21-2/h6-8,18H,3-5,9H2,1-2H3,(H,19,20)
InChIKeyUFKGSTQFJSWIQA-UHFFFAOYSA-N
MW328.24 g/mol
LogP4.68
Rot. Bonds7

About N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-chloro-3-methoxyaniline

N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-chloro-3-methoxyaniline (PubChem CID 107272155) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-chloro-3-methoxyaniline.

Molecular Properties

Compound NameN-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-chloro-3-methoxyaniline
PubChem CID107272155
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC NameN-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-chloro-3-methoxyaniline
SMILESCCCCc1nc(Cl)c(CNc2ccc(Cl)c(OC)c2)[nH]1
InChIInChI=1S/C15H19Cl2N3O/c1-3-4-5-14-19-12(15(17)20-14)9-18-10-6-7-11(16)13(8-10)21-2/h6-8,18H,3-5,9H2,1-2H3,(H,19,20)
InChIKeyUFKGSTQFJSWIQA-UHFFFAOYSA-N
XLogP4.68
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-chloro-3-methoxyaniline 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

3-bromo-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-fluoroaniline
CID 104775956
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]thiadiazol-5-amine
CID 107649352
5-bromo-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2,4-difluoroaniline
CID 102852979
4-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methoxyaniline
CID 107266062
4-chloro-3-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 107621318
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 107265945
[4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol
CID 107266036
4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxyaniline
CID 107268146
(1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-chlorophenyl)ethanamine
CID 81362461
4-chloro-3-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 107268113
4-chloro-3-methoxy-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 107621623
4-chloro-3-methoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 107272151

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-chloro-3-methoxyaniline?
The IUPAC name of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-chloro-3-methoxyaniline (CID 107272155) is N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-chloro-3-methoxyaniline.
What is the SMILES notation for N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-chloro-3-methoxyaniline?
The canonical SMILES for N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-chloro-3-methoxyaniline is CCCCc1nc(Cl)c(CNc2ccc(Cl)c(OC)c2)[nH]1.
What is the InChIKey of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-chloro-3-methoxyaniline?
The InChIKey is UFKGSTQFJSWIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c1-3-4-5-14-19-12(15(17)20-14)9-18-10-6-7-11(16)13(8-10)21-2/h6-8,18H,3-5,9H2,1-2H3,(H,19,20).
What are the key properties of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-chloro-3-methoxyaniline?
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-chloro-3-methoxyaniline has a molecular weight of 328.24 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-chloro-3-methoxyaniline is sourced from PubChem (CID 107272155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).