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

C16H25BrN4 — CID 79502876

IUPAC5-(2-bromophenyl)-1-[2-(diethylamino)ethyl]-5-methyl-4H-imidazol-2-amine
SMILESCCN(CC)CCN1C(N)=NCC1(C)c1ccccc1Br
InChIInChI=1S/C16H25BrN4/c1-4-20(5-2)10-11-21-15(18)19-12-16(21,3)13-8-6-7-9-14(13)17/h6-9H,4-5,10-12H2,1-3H3,(H2,18,19)
InChIKeyADOGJTZAIQDPKQ-UHFFFAOYSA-N
MW353.31 g/mol
LogP2.64
Rot. Bonds6

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

5-(2-bromophenyl)-1-[2-(diethylamino)ethyl]-5-methyl-4H-imidazol-2-amine (PubChem CID 79502876) has the molecular formula C16H25BrN4 and a molecular weight of 353.31 g/mol. Its IUPAC name is 5-(2-bromophenyl)-1-[2-(diethylamino)ethyl]-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(2-bromophenyl)-1-[2-(diethylamino)ethyl]-5-methyl-4H-imidazol-2-amine
PubChem CID79502876
Molecular FormulaC16H25BrN4
Molecular Weight353.31 g/mol
Exact Mass352.13
IUPAC Name5-(2-bromophenyl)-1-[2-(diethylamino)ethyl]-5-methyl-4H-imidazol-2-amine
SMILESCCN(CC)CCN1C(N)=NCC1(C)c1ccccc1Br
InChIInChI=1S/C16H25BrN4/c1-4-20(5-2)10-11-21-15(18)19-12-16(21,3)13-8-6-7-9-14(13)17/h6-9H,4-5,10-12H2,1-3H3,(H2,18,19)
InChIKeyADOGJTZAIQDPKQ-UHFFFAOYSA-N
XLogP2.64
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-1-[2-(diethylamino)ethyl]-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-(2-bromophenyl)-1-[2-(diethylamino)ethyl]-5-methyl-4H-imidazol-2-amine (CID 79502876) is 5-(2-bromophenyl)-1-[2-(diethylamino)ethyl]-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(2-bromophenyl)-1-[2-(diethylamino)ethyl]-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(2-bromophenyl)-1-[2-(diethylamino)ethyl]-5-methyl-4H-imidazol-2-amine is CCN(CC)CCN1C(N)=NCC1(C)c1ccccc1Br.
What is the InChIKey of 5-(2-bromophenyl)-1-[2-(diethylamino)ethyl]-5-methyl-4H-imidazol-2-amine?
The InChIKey is ADOGJTZAIQDPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN4/c1-4-20(5-2)10-11-21-15(18)19-12-16(21,3)13-8-6-7-9-14(13)17/h6-9H,4-5,10-12H2,1-3H3,(H2,18,19).
What are the key properties of 5-(2-bromophenyl)-1-[2-(diethylamino)ethyl]-5-methyl-4H-imidazol-2-amine?
5-(2-bromophenyl)-1-[2-(diethylamino)ethyl]-5-methyl-4H-imidazol-2-amine has a molecular weight of 353.31 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-1-[2-(diethylamino)ethyl]-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79502876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).