2-[3-(2-chloro-5-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine

C15H20ClN3O — CID 107444056

IUPAC2-[3-(2-chloro-5-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCOc1ccc(Cl)c(-n2cncc2C(CN)C(C)C)c1
InChIInChI=1S/C15H20ClN3O/c1-10(2)12(7-17)15-8-18-9-19(15)14-6-11(20-3)4-5-13(14)16/h4-6,8-10,12H,7,17H2,1-3H3
InChIKeyIFVRRNBEDOHKQE-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.23
Rot. Bonds5

About 2-[3-(2-chloro-5-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine

2-[3-(2-chloro-5-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine (PubChem CID 107444056) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-[3-(2-chloro-5-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[3-(2-chloro-5-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
PubChem CID107444056
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-[3-(2-chloro-5-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCOc1ccc(Cl)c(-n2cncc2C(CN)C(C)C)c1
InChIInChI=1S/C15H20ClN3O/c1-10(2)12(7-17)15-8-18-9-19(15)14-6-11(20-3)4-5-13(14)16/h4-6,8-10,12H,7,17H2,1-3H3
InChIKeyIFVRRNBEDOHKQE-UHFFFAOYSA-N
XLogP3.23
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(2-chloro-5-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine 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

2-[3-(3-chloro-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107443926
2-[3-(5-chloro-2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107443874
2-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107444285
2-[3-(3-chloro-4-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107444004
(1R)-1-[3-(2,5-dichlorophenyl)imidazol-4-yl]ethanamine
CID 104941597
1-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 107641151
(1R)-1-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]ethanamine
CID 104942927
3-methyl-2-[3-(3-propan-2-ylphenyl)imidazol-4-yl]butan-1-amine
CID 107444011
1-(2-chloro-5-methoxyphenyl)-5-pyrrolidin-2-ylimidazole
CID 114704542
2-[3-(5-fluoro-2-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107444228
2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107443913
4-chloro-3-(5-propan-2-ylimidazol-1-yl)benzoic acid
CID 82514343

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloro-5-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The IUPAC name of 2-[3-(2-chloro-5-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine (CID 107444056) is 2-[3-(2-chloro-5-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[3-(2-chloro-5-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[3-(2-chloro-5-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine is COc1ccc(Cl)c(-n2cncc2C(CN)C(C)C)c1.
What is the InChIKey of 2-[3-(2-chloro-5-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The InChIKey is IFVRRNBEDOHKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-10(2)12(7-17)15-8-18-9-19(15)14-6-11(20-3)4-5-13(14)16/h4-6,8-10,12H,7,17H2,1-3H3.
What are the key properties of 2-[3-(2-chloro-5-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine?
2-[3-(2-chloro-5-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine has a molecular weight of 293.80 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chloro-5-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 107444056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).