N-(4-chloro-2-methoxy-5-methylphenyl)-1-propan-2-ylimidazol-2-amine

C14H18ClN3O — CID 106556110

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-1-propan-2-ylimidazol-2-amine
SMILESCOc1cc(Cl)c(C)cc1Nc1nccn1C(C)C
InChIInChI=1S/C14H18ClN3O/c1-9(2)18-6-5-16-14(18)17-12-7-10(3)11(15)8-13(12)19-4/h5-9H,1-4H3,(H,16,17)
InChIKeyAZMUJSRRQXSGMC-UHFFFAOYSA-N
MW279.77 g/mol
LogP4.18
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-1-propan-2-ylimidazol-2-amine

N-(4-chloro-2-methoxy-5-methylphenyl)-1-propan-2-ylimidazol-2-amine (PubChem CID 106556110) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-1-propan-2-ylimidazol-2-amine
PubChem CID106556110
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-1-propan-2-ylimidazol-2-amine
SMILESCOc1cc(Cl)c(C)cc1Nc1nccn1C(C)C
InChIInChI=1S/C14H18ClN3O/c1-9(2)18-6-5-16-14(18)17-12-7-10(3)11(15)8-13(12)19-4/h5-9H,1-4H3,(H,16,17)
InChIKeyAZMUJSRRQXSGMC-UHFFFAOYSA-N
XLogP4.18
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxy-5-methylaniline
CID 43112044
N-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-amine
CID 106556357
N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylimidazol-2-amine
CID 106556111
N-(3-chloro-2-methylphenyl)-1-propan-2-ylimidazol-2-amine
CID 106556305
4-chloro-2,5-dimethoxy-N-[(1-propan-2-ylimidazol-2-yl)methyl]aniline
CID 84586952
2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine
CID 28846412
N-(4-chloro-2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 42884870
N-(3-bromo-4-methoxyphenyl)-1-propan-2-ylimidazol-2-amine
CID 106573915
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075212
4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
CID 79915939
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883322
N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351151

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-1-propan-2-ylimidazol-2-amine?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-1-propan-2-ylimidazol-2-amine (CID 106556110) is N-(4-chloro-2-methoxy-5-methylphenyl)-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-1-propan-2-ylimidazol-2-amine is COc1cc(Cl)c(C)cc1Nc1nccn1C(C)C.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-1-propan-2-ylimidazol-2-amine?
The InChIKey is AZMUJSRRQXSGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-9(2)18-6-5-16-14(18)17-12-7-10(3)11(15)8-13(12)19-4/h5-9H,1-4H3,(H,16,17).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-1-propan-2-ylimidazol-2-amine?
N-(4-chloro-2-methoxy-5-methylphenyl)-1-propan-2-ylimidazol-2-amine has a molecular weight of 279.77 g/mol, XLogP of 4.18, 4 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-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106556110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).