2-[3-(4-chloro-2,5-dimethoxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine

C15H20ClN3O2 — CID 114707996

IUPAC2-[3-(4-chloro-2,5-dimethoxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1-c1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C15H20ClN3O2/c1-15(2,17-3)14-8-18-9-19(14)11-7-12(20-4)10(16)6-13(11)21-5/h6-9,17H,1-5H3
InChIKeyMTENERGPKCBJOM-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.00
Rot. Bonds5

About 2-[3-(4-chloro-2,5-dimethoxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine

2-[3-(4-chloro-2,5-dimethoxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine (PubChem CID 114707996) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-[3-(4-chloro-2,5-dimethoxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[3-(4-chloro-2,5-dimethoxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine
PubChem CID114707996
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name2-[3-(4-chloro-2,5-dimethoxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1-c1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C15H20ClN3O2/c1-15(2,17-3)14-8-18-9-19(14)11-7-12(20-4)10(16)6-13(11)21-5/h6-9,17H,1-5H3
InChIKeyMTENERGPKCBJOM-UHFFFAOYSA-N
XLogP3.00
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(4-chloro-2,5-dimethoxyphenyl)imidazol-4-yl]-N-methylpropan-2-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-(2-chloro-5-fluorophenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 107531998
3-(4-chloro-2,5-dimethoxyphenyl)imidazole-4-carbaldehyde
CID 66148246
5-(azetidin-3-yl)-1-(4-chloro-2,5-dimethoxyphenyl)imidazole
CID 114716743
3-chloro-4-(4-chloro-2,5-dimethoxyphenyl)-1,2,4-triazole
CID 63384718
3-methoxy-2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile
CID 107470112
4-methyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile
CID 114708243
2-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114708434
1-(4-chloro-2,5-dimethoxyphenyl)-N-methylazetidin-3-amine
CID 117002959
2,5-dichloro-4-methoxy-N-methylaniline
CID 82283226
2-chloro-4,5-dimethoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66131103
2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114708232
1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62737936

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chloro-2,5-dimethoxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[3-(4-chloro-2,5-dimethoxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine (CID 114707996) is 2-[3-(4-chloro-2,5-dimethoxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[3-(4-chloro-2,5-dimethoxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[3-(4-chloro-2,5-dimethoxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine is CNC(C)(C)c1cncn1-c1cc(OC)c(Cl)cc1OC.
What is the InChIKey of 2-[3-(4-chloro-2,5-dimethoxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine?
The InChIKey is MTENERGPKCBJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-15(2,17-3)14-8-18-9-19(14)11-7-12(20-4)10(16)6-13(11)21-5/h6-9,17H,1-5H3.
What are the key properties of 2-[3-(4-chloro-2,5-dimethoxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine?
2-[3-(4-chloro-2,5-dimethoxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine has a molecular weight of 309.80 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chloro-2,5-dimethoxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 114707996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).