5-(2-chloro-3,4-dimethoxyphenyl)-3-cyclopropylimidazol-4-amine

C14H16ClN3O2 — CID 63632385

IUPAC5-(2-chloro-3,4-dimethoxyphenyl)-3-cyclopropylimidazol-4-amine
SMILESCOc1ccc(-c2ncn(C3CC3)c2N)c(Cl)c1OC
InChIInChI=1S/C14H16ClN3O2/c1-19-10-6-5-9(11(15)13(10)20-2)12-14(16)18(7-17-12)8-3-4-8/h5-8H,3-4,16H2,1-2H3
InChIKeyYTWRKNRGTVGTEE-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.14
Rot. Bonds4

About 5-(2-chloro-3,4-dimethoxyphenyl)-3-cyclopropylimidazol-4-amine

5-(2-chloro-3,4-dimethoxyphenyl)-3-cyclopropylimidazol-4-amine (PubChem CID 63632385) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 5-(2-chloro-3,4-dimethoxyphenyl)-3-cyclopropylimidazol-4-amine.

Molecular Properties

Compound Name5-(2-chloro-3,4-dimethoxyphenyl)-3-cyclopropylimidazol-4-amine
PubChem CID63632385
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name5-(2-chloro-3,4-dimethoxyphenyl)-3-cyclopropylimidazol-4-amine
SMILESCOc1ccc(-c2ncn(C3CC3)c2N)c(Cl)c1OC
InChIInChI=1S/C14H16ClN3O2/c1-19-10-6-5-9(11(15)13(10)20-2)12-14(16)18(7-17-12)8-3-4-8/h5-8H,3-4,16H2,1-2H3
InChIKeyYTWRKNRGTVGTEE-UHFFFAOYSA-N
XLogP3.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-3,4-dimethoxyphenyl)-3-cyclopropylimidazol-4-amine?
The IUPAC name of 5-(2-chloro-3,4-dimethoxyphenyl)-3-cyclopropylimidazol-4-amine (CID 63632385) is 5-(2-chloro-3,4-dimethoxyphenyl)-3-cyclopropylimidazol-4-amine.
What is the SMILES notation for 5-(2-chloro-3,4-dimethoxyphenyl)-3-cyclopropylimidazol-4-amine?
The canonical SMILES for 5-(2-chloro-3,4-dimethoxyphenyl)-3-cyclopropylimidazol-4-amine is COc1ccc(-c2ncn(C3CC3)c2N)c(Cl)c1OC.
What is the InChIKey of 5-(2-chloro-3,4-dimethoxyphenyl)-3-cyclopropylimidazol-4-amine?
The InChIKey is YTWRKNRGTVGTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-19-10-6-5-9(11(15)13(10)20-2)12-14(16)18(7-17-12)8-3-4-8/h5-8H,3-4,16H2,1-2H3.
What are the key properties of 5-(2-chloro-3,4-dimethoxyphenyl)-3-cyclopropylimidazol-4-amine?
5-(2-chloro-3,4-dimethoxyphenyl)-3-cyclopropylimidazol-4-amine has a molecular weight of 293.75 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-3,4-dimethoxyphenyl)-3-cyclopropylimidazol-4-amine is sourced from PubChem (CID 63632385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).