1-(2-methoxyethyl)-5-methyl-5-(4-propan-2-yloxyphenyl)-4H-imidazol-2-amine

C16H25N3O2 — CID 79503010

IUPAC1-(2-methoxyethyl)-5-methyl-5-(4-propan-2-yloxyphenyl)-4H-imidazol-2-amine
SMILESCOCCN1C(N)=NCC1(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-12(2)21-14-7-5-13(6-8-14)16(3)11-18-15(17)19(16)9-10-20-4/h5-8,12H,9-11H2,1-4H3,(H2,17,18)
InChIKeyDQHRUNQRAHKHRO-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.97
Rot. Bonds6

About 1-(2-methoxyethyl)-5-methyl-5-(4-propan-2-yloxyphenyl)-4H-imidazol-2-amine

1-(2-methoxyethyl)-5-methyl-5-(4-propan-2-yloxyphenyl)-4H-imidazol-2-amine (PubChem CID 79503010) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-methyl-5-(4-propan-2-yloxyphenyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-methyl-5-(4-propan-2-yloxyphenyl)-4H-imidazol-2-amine
PubChem CID79503010
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-(2-methoxyethyl)-5-methyl-5-(4-propan-2-yloxyphenyl)-4H-imidazol-2-amine
SMILESCOCCN1C(N)=NCC1(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-12(2)21-14-7-5-13(6-8-14)16(3)11-18-15(17)19(16)9-10-20-4/h5-8,12H,9-11H2,1-4H3,(H2,17,18)
InChIKeyDQHRUNQRAHKHRO-UHFFFAOYSA-N
XLogP1.97
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-methyl-5-(4-propan-2-yloxyphenyl)-4H-imidazol-2-amine?
The IUPAC name of 1-(2-methoxyethyl)-5-methyl-5-(4-propan-2-yloxyphenyl)-4H-imidazol-2-amine (CID 79503010) is 1-(2-methoxyethyl)-5-methyl-5-(4-propan-2-yloxyphenyl)-4H-imidazol-2-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-5-methyl-5-(4-propan-2-yloxyphenyl)-4H-imidazol-2-amine?
The canonical SMILES for 1-(2-methoxyethyl)-5-methyl-5-(4-propan-2-yloxyphenyl)-4H-imidazol-2-amine is COCCN1C(N)=NCC1(C)c1ccc(OC(C)C)cc1.
What is the InChIKey of 1-(2-methoxyethyl)-5-methyl-5-(4-propan-2-yloxyphenyl)-4H-imidazol-2-amine?
The InChIKey is DQHRUNQRAHKHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(2)21-14-7-5-13(6-8-14)16(3)11-18-15(17)19(16)9-10-20-4/h5-8,12H,9-11H2,1-4H3,(H2,17,18).
What are the key properties of 1-(2-methoxyethyl)-5-methyl-5-(4-propan-2-yloxyphenyl)-4H-imidazol-2-amine?
1-(2-methoxyethyl)-5-methyl-5-(4-propan-2-yloxyphenyl)-4H-imidazol-2-amine has a molecular weight of 291.40 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-methyl-5-(4-propan-2-yloxyphenyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79503010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).