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

C14H19Br2N3 — CID 12674648

IUPACN-(2,6-dibromophenyl)-N-pentyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCCCCCN(C1=NCCN1)c1c(Br)cccc1Br
InChIInChI=1S/C14H19Br2N3/c1-2-3-4-10-19(14-17-8-9-18-14)13-11(15)6-5-7-12(13)16/h5-7H,2-4,8-10H2,1H3,(H,17,18)
InChIKeyVNFJJGWFOPVWLD-UHFFFAOYSA-N
MW389.14 g/mol
LogP4.17
Rot. Bonds5

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

N-(2,6-dibromophenyl)-N-pentyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 12674648) has the molecular formula C14H19Br2N3 and a molecular weight of 389.14 g/mol. Its IUPAC name is N-(2,6-dibromophenyl)-N-pentyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dibromophenyl)-N-pentyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID12674648
Molecular FormulaC14H19Br2N3
Molecular Weight389.14 g/mol
Exact Mass386.99
IUPAC NameN-(2,6-dibromophenyl)-N-pentyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCCCCCN(C1=NCCN1)c1c(Br)cccc1Br
InChIInChI=1S/C14H19Br2N3/c1-2-3-4-10-19(14-17-8-9-18-14)13-11(15)6-5-7-12(13)16/h5-7H,2-4,8-10H2,1H3,(H,17,18)
InChIKeyVNFJJGWFOPVWLD-UHFFFAOYSA-N
XLogP4.17
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.14
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Romifidine
CID 71969
Romifidine Hydrochloride
CID 20226420
N-(2,6-dibromophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 10245368
N-(2,6-Dibromophenyl)-N-(prop-2-yn-1-yl)-4,5-dihydro-1H-imidazol-2-amine
CID 12674657
(5S)-5-(2-aminoethyl)-N-(2-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide
CID 53320867
2-(4-BR Phenylimino)imidazolidine
CID 11241911
2-(2,4,6-Tribromophenylimino)imidazolidine
CID 12406843
N-(2-bromo-6-fluorophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 12674639
N-(2,6-dibromophenyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
CID 10021350
1-(2-Aminoethyl)-3-(2,6-dibromophenyl)thiourea
CID 12635590
N-(2,6-dibromophenyl)-N-propyl-4,5-dihydro-1H-imidazol-2-amine
CID 12674646
1-(Cyclopropylmethyl)-1-(2,6-dibromophenyl)guanidine
CID 12674667

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromophenyl)-N-pentyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(2,6-dibromophenyl)-N-pentyl-4,5-dihydro-1H-imidazol-2-amine (CID 12674648) is N-(2,6-dibromophenyl)-N-pentyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(2,6-dibromophenyl)-N-pentyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(2,6-dibromophenyl)-N-pentyl-4,5-dihydro-1H-imidazol-2-amine is CCCCCN(C1=NCCN1)c1c(Br)cccc1Br.
What is the InChIKey of N-(2,6-dibromophenyl)-N-pentyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is VNFJJGWFOPVWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2N3/c1-2-3-4-10-19(14-17-8-9-18-14)13-11(15)6-5-7-12(13)16/h5-7H,2-4,8-10H2,1H3,(H,17,18).
What are the key properties of N-(2,6-dibromophenyl)-N-pentyl-4,5-dihydro-1H-imidazol-2-amine?
N-(2,6-dibromophenyl)-N-pentyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 389.14 g/mol, XLogP of 4.17, 5 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-pentyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 12674648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).