N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylimidazol-2-amine

C13H16ClN3O — CID 106556111

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylimidazol-2-amine
SMILESCOc1cc(Cl)c(C)cc1Nc1nc(C)cn1C
InChIInChI=1S/C13H16ClN3O/c1-8-5-11(12(18-4)6-10(8)14)16-13-15-9(2)7-17(13)3/h5-7H,1-4H3,(H,15,16)
InChIKeyKPTAGGRLMIOTIF-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.44
Rot. Bonds3

About N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylimidazol-2-amine

N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylimidazol-2-amine (PubChem CID 106556111) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylimidazol-2-amine
PubChem CID106556111
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylimidazol-2-amine
SMILESCOc1cc(Cl)c(C)cc1Nc1nc(C)cn1C
InChIInChI=1S/C13H16ClN3O/c1-8-5-11(12(18-4)6-10(8)14)16-13-15-9(2)7-17(13)3/h5-7H,1-4H3,(H,15,16)
InChIKeyKPTAGGRLMIOTIF-UHFFFAOYSA-N
XLogP3.44
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine
CID 106556095
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine
CID 55080744
4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine
CID 83152214
N-(4-chloro-2-methoxy-5-methylphenyl)-1-propan-2-ylimidazol-2-amine
CID 106556110
N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306582
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075212
4-N-tert-butyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112876003
N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068100
4-(azepan-1-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 112926661
N-(3-chloro-2-fluorophenyl)-1,4-dimethylimidazol-2-amine
CID 106560763
6-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine
CID 63963848
2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine
CID 28846412

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylimidazol-2-amine?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylimidazol-2-amine (CID 106556111) is N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylimidazol-2-amine.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylimidazol-2-amine?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylimidazol-2-amine is COc1cc(Cl)c(C)cc1Nc1nc(C)cn1C.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylimidazol-2-amine?
The InChIKey is KPTAGGRLMIOTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-8-5-11(12(18-4)6-10(8)14)16-13-15-9(2)7-17(13)3/h5-7H,1-4H3,(H,15,16).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylimidazol-2-amine?
N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylimidazol-2-amine has a molecular weight of 265.74 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylimidazol-2-amine is sourced from PubChem (CID 106556111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).