1-[2-(diethylamino)ethyl]-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine

C16H26N4O — CID 79503034

IUPAC1-[2-(diethylamino)ethyl]-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
SMILESCCN(CC)CCN1C(N)=NCC1c1cccc(OC)c1
InChIInChI=1S/C16H26N4O/c1-4-19(5-2)9-10-20-15(12-18-16(20)17)13-7-6-8-14(11-13)21-3/h6-8,11,15H,4-5,9-10,12H2,1-3H3,(H2,17,18)
InChIKeyJGCBHKVZEQBJIE-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.71
Rot. Bonds7

About 1-[2-(diethylamino)ethyl]-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine

1-[2-(diethylamino)ethyl]-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79503034) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79503034
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-[2-(diethylamino)ethyl]-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
SMILESCCN(CC)CCN1C(N)=NCC1c1cccc(OC)c1
InChIInChI=1S/C16H26N4O/c1-4-19(5-2)9-10-20-15(12-18-16(20)17)13-7-6-8-14(11-13)21-3/h6-8,11,15H,4-5,9-10,12H2,1-3H3,(H2,17,18)
InChIKeyJGCBHKVZEQBJIE-UHFFFAOYSA-N
XLogP1.71
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-[2-(diethylamino)ethyl]-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine (CID 79503034) is 1-[2-(diethylamino)ethyl]-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine is CCN(CC)CCN1C(N)=NCC1c1cccc(OC)c1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is JGCBHKVZEQBJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-19(5-2)9-10-20-15(12-18-16(20)17)13-7-6-8-14(11-13)21-3/h6-8,11,15H,4-5,9-10,12H2,1-3H3,(H2,17,18).
What are the key properties of 1-[2-(diethylamino)ethyl]-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine?
1-[2-(diethylamino)ethyl]-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 290.41 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79503034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).