2,3-dimethyl-5-(4-propan-2-yloxyphenyl)imidazol-4-amine

C14H19N3O — CID 55047871

IUPAC2,3-dimethyl-5-(4-propan-2-yloxyphenyl)imidazol-4-amine
SMILESCc1nc(-c2ccc(OC(C)C)cc2)c(N)n1C
InChIInChI=1S/C14H19N3O/c1-9(2)18-12-7-5-11(6-8-12)13-14(15)17(4)10(3)16-13/h5-9H,15H2,1-4H3
InChIKeyWBAUPFJBPMMJSA-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.76
Rot. Bonds3

About 2,3-dimethyl-5-(4-propan-2-yloxyphenyl)imidazol-4-amine

2,3-dimethyl-5-(4-propan-2-yloxyphenyl)imidazol-4-amine (PubChem CID 55047871) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2,3-dimethyl-5-(4-propan-2-yloxyphenyl)imidazol-4-amine.

Molecular Properties

Compound Name2,3-dimethyl-5-(4-propan-2-yloxyphenyl)imidazol-4-amine
PubChem CID55047871
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2,3-dimethyl-5-(4-propan-2-yloxyphenyl)imidazol-4-amine
SMILESCc1nc(-c2ccc(OC(C)C)cc2)c(N)n1C
InChIInChI=1S/C14H19N3O/c1-9(2)18-12-7-5-11(6-8-12)13-14(15)17(4)10(3)16-13/h5-9H,15H2,1-4H3
InChIKeyWBAUPFJBPMMJSA-UHFFFAOYSA-N
XLogP2.76
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(4-propan-2-yloxyphenyl)imidazol-4-amine?
The IUPAC name of 2,3-dimethyl-5-(4-propan-2-yloxyphenyl)imidazol-4-amine (CID 55047871) is 2,3-dimethyl-5-(4-propan-2-yloxyphenyl)imidazol-4-amine.
What is the SMILES notation for 2,3-dimethyl-5-(4-propan-2-yloxyphenyl)imidazol-4-amine?
The canonical SMILES for 2,3-dimethyl-5-(4-propan-2-yloxyphenyl)imidazol-4-amine is Cc1nc(-c2ccc(OC(C)C)cc2)c(N)n1C.
What is the InChIKey of 2,3-dimethyl-5-(4-propan-2-yloxyphenyl)imidazol-4-amine?
The InChIKey is WBAUPFJBPMMJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9(2)18-12-7-5-11(6-8-12)13-14(15)17(4)10(3)16-13/h5-9H,15H2,1-4H3.
What are the key properties of 2,3-dimethyl-5-(4-propan-2-yloxyphenyl)imidazol-4-amine?
2,3-dimethyl-5-(4-propan-2-yloxyphenyl)imidazol-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(4-propan-2-yloxyphenyl)imidazol-4-amine is sourced from PubChem (CID 55047871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).