5-(2-chloro-6-methoxyphenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine

C16H18ClN3O — CID 104818038

IUPAC5-(2-chloro-6-methoxyphenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(C(C)C)nc(-c2c(Cl)cccc2OC)c1N
InChIInChI=1S/C16H18ClN3O/c1-5-9-20-15(18)14(19-16(20)10(2)3)13-11(17)7-6-8-12(13)21-4/h1,6-8,10H,9,18H2,2-4H3
InChIKeyJUTWAWINUOVPAW-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.55
Rot. Bonds4

About 5-(2-chloro-6-methoxyphenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine

5-(2-chloro-6-methoxyphenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine (PubChem CID 104818038) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-(2-chloro-6-methoxyphenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine.

Molecular Properties

Compound Name5-(2-chloro-6-methoxyphenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine
PubChem CID104818038
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name5-(2-chloro-6-methoxyphenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(C(C)C)nc(-c2c(Cl)cccc2OC)c1N
InChIInChI=1S/C16H18ClN3O/c1-5-9-20-15(18)14(19-16(20)10(2)3)13-11(17)7-6-8-12(13)21-4/h1,6-8,10H,9,18H2,2-4H3
InChIKeyJUTWAWINUOVPAW-UHFFFAOYSA-N
XLogP3.55
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-chloro-6-methoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 104818026
5-(4-chlorophenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine
CID 62219998
5-(2-chloro-6-methoxyphenyl)-2-ethyl-3-propylimidazol-4-amine
CID 104817992
5-(2-chloro-6-methoxyphenyl)-2,3-dimethylimidazol-4-amine
CID 113456519
5-(3-chloro-2-fluorophenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 114488594
2-(2-chloro-6-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-amine
CID 104818577
2-tert-butyl-5-(2-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine
CID 62218473
5-(2-ethoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 62219790
5-bromo-2-(2-chloro-6-methoxyphenyl)-6-ethylpyrimidin-4-amine
CID 104818317
3,5-dichloro-6-(2,6-dimethoxyphenyl)pyridin-2-amine
CID 102753973
2-(2-chloro-6-methoxyphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 104818371
4-(2-chloro-6-methoxyphenyl)-6-methoxypyrimidin-2-amine
CID 39819500

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-methoxyphenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine?
The IUPAC name of 5-(2-chloro-6-methoxyphenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine (CID 104818038) is 5-(2-chloro-6-methoxyphenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine.
What is the SMILES notation for 5-(2-chloro-6-methoxyphenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine?
The canonical SMILES for 5-(2-chloro-6-methoxyphenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine is C#CCn1c(C(C)C)nc(-c2c(Cl)cccc2OC)c1N.
What is the InChIKey of 5-(2-chloro-6-methoxyphenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine?
The InChIKey is JUTWAWINUOVPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-5-9-20-15(18)14(19-16(20)10(2)3)13-11(17)7-6-8-12(13)21-4/h1,6-8,10H,9,18H2,2-4H3.
What are the key properties of 5-(2-chloro-6-methoxyphenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine?
5-(2-chloro-6-methoxyphenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine has a molecular weight of 303.79 g/mol, XLogP of 3.55, 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)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine is sourced from PubChem (CID 104818038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).