1-[2-(diethylamino)ethyl]-5-methyl-5-(2-methylphenyl)-4H-imidazol-2-amine

C17H28N4 — CID 79502878

IUPAC1-[2-(diethylamino)ethyl]-5-methyl-5-(2-methylphenyl)-4H-imidazol-2-amine
SMILESCCN(CC)CCN1C(N)=NCC1(C)c1ccccc1C
InChIInChI=1S/C17H28N4/c1-5-20(6-2)11-12-21-16(18)19-13-17(21,4)15-10-8-7-9-14(15)3/h7-10H,5-6,11-13H2,1-4H3,(H2,18,19)
InChIKeyNBYLADWYNFUPSF-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.18
Rot. Bonds6

About 1-[2-(diethylamino)ethyl]-5-methyl-5-(2-methylphenyl)-4H-imidazol-2-amine

1-[2-(diethylamino)ethyl]-5-methyl-5-(2-methylphenyl)-4H-imidazol-2-amine (PubChem CID 79502878) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-5-methyl-5-(2-methylphenyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-5-methyl-5-(2-methylphenyl)-4H-imidazol-2-amine
PubChem CID79502878
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-[2-(diethylamino)ethyl]-5-methyl-5-(2-methylphenyl)-4H-imidazol-2-amine
SMILESCCN(CC)CCN1C(N)=NCC1(C)c1ccccc1C
InChIInChI=1S/C17H28N4/c1-5-20(6-2)11-12-21-16(18)19-13-17(21,4)15-10-8-7-9-14(15)3/h7-10H,5-6,11-13H2,1-4H3,(H2,18,19)
InChIKeyNBYLADWYNFUPSF-UHFFFAOYSA-N
XLogP2.18
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-5-methyl-5-(2-methylphenyl)-4H-imidazol-2-amine?
The IUPAC name of 1-[2-(diethylamino)ethyl]-5-methyl-5-(2-methylphenyl)-4H-imidazol-2-amine (CID 79502878) is 1-[2-(diethylamino)ethyl]-5-methyl-5-(2-methylphenyl)-4H-imidazol-2-amine.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-5-methyl-5-(2-methylphenyl)-4H-imidazol-2-amine?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-5-methyl-5-(2-methylphenyl)-4H-imidazol-2-amine is CCN(CC)CCN1C(N)=NCC1(C)c1ccccc1C.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-5-methyl-5-(2-methylphenyl)-4H-imidazol-2-amine?
The InChIKey is NBYLADWYNFUPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-5-20(6-2)11-12-21-16(18)19-13-17(21,4)15-10-8-7-9-14(15)3/h7-10H,5-6,11-13H2,1-4H3,(H2,18,19).
What are the key properties of 1-[2-(diethylamino)ethyl]-5-methyl-5-(2-methylphenyl)-4H-imidazol-2-amine?
1-[2-(diethylamino)ethyl]-5-methyl-5-(2-methylphenyl)-4H-imidazol-2-amine has a molecular weight of 288.44 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-5-methyl-5-(2-methylphenyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79502878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).