2-(4-bromo-2-methylphenyl)-4,5-dihydro-1H-imidazole

C10H11BrN2 — CID 58041828

IUPAC2-(4-bromo-2-methylphenyl)-4,5-dihydro-1H-imidazole
SMILESCc1cc(Br)ccc1C1=NCCN1
InChIInChI=1S/C10H11BrN2/c1-7-6-8(11)2-3-9(7)10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyNEKLLMYQAVPYBG-UHFFFAOYSA-N
MW239.12 g/mol
LogP2.11
Rot. Bonds1

About 2-(4-bromo-2-methylphenyl)-4,5-dihydro-1H-imidazole

2-(4-bromo-2-methylphenyl)-4,5-dihydro-1H-imidazole (PubChem CID 58041828) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)-4,5-dihydro-1H-imidazole
PubChem CID58041828
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name2-(4-bromo-2-methylphenyl)-4,5-dihydro-1H-imidazole
SMILESCc1cc(Br)ccc1C1=NCCN1
InChIInChI=1S/C10H11BrN2/c1-7-6-8(11)2-3-9(7)10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyNEKLLMYQAVPYBG-UHFFFAOYSA-N
XLogP2.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-iodo-2-methylphenyl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 70301959
5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride
CID 57447472
4-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diol
CID 4583261
2-(2-fluoro-5-methylphenyl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 171378845
N-[(5-bromo-2-methylphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
CID 20628576
2-(4-tert-butyl-2,6-dimethylphenyl)-4,5-dihydro-1H-imidazole
CID 73011052
5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)phenol
CID 137272912
5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-N,N,2-trimethylaniline;2-methylbutane
CID 142136566
2-[2-[2-(2-bromo-5-methylphenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 143153209
5-(4-bromophenyl)-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride
CID 57447569
3-(4-bromo-2-methylphenyl)-5-chloro-1H-1,2,4-triazole
CID 103084158
2-[2-(5-bromo-7-methoxy-1-benzofuran-2-yl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 161355740

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(4-bromo-2-methylphenyl)-4,5-dihydro-1H-imidazole (CID 58041828) is 2-(4-bromo-2-methylphenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)-4,5-dihydro-1H-imidazole is Cc1cc(Br)ccc1C1=NCCN1.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is NEKLLMYQAVPYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-7-6-8(11)2-3-9(7)10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H,12,13).
What are the key properties of 2-(4-bromo-2-methylphenyl)-4,5-dihydro-1H-imidazole?
2-(4-bromo-2-methylphenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 239.12 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 58041828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).