5-(2-chloro-6-methoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine

C15H20ClN3O — CID 104818026

IUPAC5-(2-chloro-6-methoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
SMILESCCn1c(C(C)C)nc(-c2c(Cl)cccc2OC)c1N
InChIInChI=1S/C15H20ClN3O/c1-5-19-14(17)13(18-15(19)9(2)3)12-10(16)7-6-8-11(12)20-4/h6-9H,5,17H2,1-4H3
InChIKeyXKDYFOIONOYDSR-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.94
Rot. Bonds4

About 5-(2-chloro-6-methoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine

5-(2-chloro-6-methoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine (PubChem CID 104818026) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 5-(2-chloro-6-methoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-(2-chloro-6-methoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
PubChem CID104818026
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name5-(2-chloro-6-methoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
SMILESCCn1c(C(C)C)nc(-c2c(Cl)cccc2OC)c1N
InChIInChI=1S/C15H20ClN3O/c1-5-19-14(17)13(18-15(19)9(2)3)12-10(16)7-6-8-11(12)20-4/h6-9H,5,17H2,1-4H3
InChIKeyXKDYFOIONOYDSR-UHFFFAOYSA-N
XLogP3.94
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chloro-6-methoxyphenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine
CID 104818038
5-(2-chloro-6-methoxyphenyl)-2-ethyl-3-propylimidazol-4-amine
CID 104817992
5-(3-chloro-2-fluorophenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 114488594
5-(2-chloro-6-methoxyphenyl)-2,3-dimethylimidazol-4-amine
CID 113456519
5-(2-ethoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 62219790
3-ethyl-5-(3-methylphenyl)-2-propan-2-ylimidazol-4-amine
CID 62220327
2-tert-butyl-5-(2,6-dichlorophenyl)-3-ethylimidazol-4-amine
CID 62219680
2-(2-chloro-6-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-amine
CID 104818577
5-[3-(difluoromethyl)phenyl]-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 115528289
5-bromo-2-(2-chloro-6-methoxyphenyl)-6-ethylpyrimidin-4-amine
CID 104818317
5-(4-tert-butylphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 63469094
2-(2-chloro-6-methoxyphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 104818371

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-methoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-(2-chloro-6-methoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine (CID 104818026) is 5-(2-chloro-6-methoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-(2-chloro-6-methoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-(2-chloro-6-methoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine is CCn1c(C(C)C)nc(-c2c(Cl)cccc2OC)c1N.
What is the InChIKey of 5-(2-chloro-6-methoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine?
The InChIKey is XKDYFOIONOYDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-5-19-14(17)13(18-15(19)9(2)3)12-10(16)7-6-8-11(12)20-4/h6-9H,5,17H2,1-4H3.
What are the key properties of 5-(2-chloro-6-methoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine?
5-(2-chloro-6-methoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine has a molecular weight of 293.80 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-methoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 104818026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).