N-(2,6-dibromophenyl)-N-propyl-4,5-dihydro-1H-imidazol-2-amine

C12H15Br2N3 — CID 12674646

IUPACN-(2,6-dibromophenyl)-N-propyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCCCN(C1=NCCN1)c1c(Br)cccc1Br
InChIInChI=1S/C12H15Br2N3/c1-2-8-17(12-15-6-7-16-12)11-9(13)4-3-5-10(11)14/h3-5H,2,6-8H2,1H3,(H,15,16)
InChIKeyKLGIPVOWXXVDTP-UHFFFAOYSA-N
MW361.08 g/mol
LogP3.39
Rot. Bonds3

About N-(2,6-dibromophenyl)-N-propyl-4,5-dihydro-1H-imidazol-2-amine

N-(2,6-dibromophenyl)-N-propyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 12674646) has the molecular formula C12H15Br2N3 and a molecular weight of 361.08 g/mol. Its IUPAC name is N-(2,6-dibromophenyl)-N-propyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dibromophenyl)-N-propyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID12674646
Molecular FormulaC12H15Br2N3
Molecular Weight361.08 g/mol
Exact Mass358.96
IUPAC NameN-(2,6-dibromophenyl)-N-propyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCCCN(C1=NCCN1)c1c(Br)cccc1Br
InChIInChI=1S/C12H15Br2N3/c1-2-8-17(12-15-6-7-16-12)11-9(13)4-3-5-10(11)14/h3-5H,2,6-8H2,1H3,(H,15,16)
InChIKeyKLGIPVOWXXVDTP-UHFFFAOYSA-N
XLogP3.39
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.08
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromophenyl)-N-propyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(2,6-dibromophenyl)-N-propyl-4,5-dihydro-1H-imidazol-2-amine (CID 12674646) is N-(2,6-dibromophenyl)-N-propyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(2,6-dibromophenyl)-N-propyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(2,6-dibromophenyl)-N-propyl-4,5-dihydro-1H-imidazol-2-amine is CCCN(C1=NCCN1)c1c(Br)cccc1Br.
What is the InChIKey of N-(2,6-dibromophenyl)-N-propyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is KLGIPVOWXXVDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2N3/c1-2-8-17(12-15-6-7-16-12)11-9(13)4-3-5-10(11)14/h3-5H,2,6-8H2,1H3,(H,15,16).
What are the key properties of N-(2,6-dibromophenyl)-N-propyl-4,5-dihydro-1H-imidazol-2-amine?
N-(2,6-dibromophenyl)-N-propyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 361.08 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromophenyl)-N-propyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 12674646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).