N-(4-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine

C9H10BrN3 — CID 11241911

IUPACN-(4-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESBrc1ccc(NC2=NCCN2)cc1
InChIInChI=1S/C9H10BrN3/c10-7-1-3-8(4-2-7)13-9-11-5-6-12-9/h1-4H,5-6H2,(H2,11,12,13)
InChIKeyMPWTWQFOWHREDW-UHFFFAOYSA-N
MW240.10 g/mol
LogP1.82
Rot. Bonds1

About N-(4-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine

N-(4-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 11241911) has the molecular formula C9H10BrN3 and a molecular weight of 240.10 g/mol. Its IUPAC name is N-(4-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID11241911
Molecular FormulaC9H10BrN3
Molecular Weight240.10 g/mol
Exact Mass239.01
IUPAC NameN-(4-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESBrc1ccc(NC2=NCCN2)cc1
InChIInChI=1S/C9H10BrN3/c10-7-1-3-8(4-2-7)13-9-11-5-6-12-9/h1-4H,5-6H2,(H2,11,12,13)
InChIKeyMPWTWQFOWHREDW-UHFFFAOYSA-N
XLogP1.82
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(4-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine (CID 11241911) is N-(4-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(4-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine is Brc1ccc(NC2=NCCN2)cc1.
What is the InChIKey of N-(4-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is MPWTWQFOWHREDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3/c10-7-1-3-8(4-2-7)13-9-11-5-6-12-9/h1-4H,5-6H2,(H2,11,12,13).
What are the key properties of N-(4-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(4-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 240.10 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 11241911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).