2-[(4-bromophenyl)methyl]-4,5-dihydro-1H-imidazole

C10H11BrN2 — CID 10490160

IUPAC2-[(4-bromophenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESBrc1ccc(CC2=NCCN2)cc1
InChIInChI=1S/C10H11BrN2/c11-9-3-1-8(2-4-9)7-10-12-5-6-13-10/h1-4H,5-7H2,(H,12,13)
InChIKeyOVVBCXBJCFCPLW-UHFFFAOYSA-N
MW239.12 g/mol
LogP1.99
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]-4,5-dihydro-1H-imidazole

2-[(4-bromophenyl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 10490160) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID10490160
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name2-[(4-bromophenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESBrc1ccc(CC2=NCCN2)cc1
InChIInChI=1S/C10H11BrN2/c11-9-3-1-8(2-4-9)7-10-12-5-6-13-10/h1-4H,5-7H2,(H,12,13)
InChIKeyOVVBCXBJCFCPLW-UHFFFAOYSA-N
XLogP1.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(4-bromophenyl)methyl]-4,5-dihydro-1H-imidazole (CID 10490160) is 2-[(4-bromophenyl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-4,5-dihydro-1H-imidazole is Brc1ccc(CC2=NCCN2)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is OVVBCXBJCFCPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c11-9-3-1-8(2-4-9)7-10-12-5-6-13-10/h1-4H,5-7H2,(H,12,13).
What are the key properties of 2-[(4-bromophenyl)methyl]-4,5-dihydro-1H-imidazole?
2-[(4-bromophenyl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 239.12 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10490160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).