1-bromo-3-(4-methylphenyl)-2H-imidazole

C10H11BrN2 — CID 174729207

IUPAC1-bromo-3-(4-methylphenyl)-2H-imidazole
SMILESCc1ccc(N2C=CN(Br)C2)cc1
InChIInChI=1S/C10H11BrN2/c1-9-2-4-10(5-3-9)12-6-7-13(11)8-12/h2-7H,8H2,1H3
InChIKeyCCODVFABWCELQW-UHFFFAOYSA-N
MW239.12 g/mol
LogP2.86
Rot. Bonds1

About 1-bromo-3-(4-methylphenyl)-2H-imidazole

1-bromo-3-(4-methylphenyl)-2H-imidazole (PubChem CID 174729207) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 1-bromo-3-(4-methylphenyl)-2H-imidazole.

Molecular Properties

Compound Name1-bromo-3-(4-methylphenyl)-2H-imidazole
PubChem CID174729207
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name1-bromo-3-(4-methylphenyl)-2H-imidazole
SMILESCc1ccc(N2C=CN(Br)C2)cc1
InChIInChI=1S/C10H11BrN2/c1-9-2-4-10(5-3-9)12-6-7-13(11)8-12/h2-7H,8H2,1H3
InChIKeyCCODVFABWCELQW-UHFFFAOYSA-N
XLogP2.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

Dimethyl-p-toluidine
CID 7471
p-(Dimethylamino)cinnamonitrile
CID 5374281
Urea, N,N-dimethyl-N'-(4-methylphenyl)-
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N,N-diethyl-p-toluidine
CID 69177
4-(2,4-Cyclopentadien-1-ylidenemethyl)-N,N-dimethylaniline
CID 256312
4-(Aminomethyl)-N,N-dimethylaniline
CID 80826
2-(4-(Dimethylamino)benzylidene)malononitrile
CID 137736
4-(Diethylamino)benzonitrile
CID 76134
1,1-Dimethyl-3-(para-tolyl)-2-thiourea
CID 708394
1-Ethyl-3-(4-methylphenyl)thiourea
CID 4413304
4-Dimethylaminophenethylamine
CID 151268
trans-4-(Diethylamino)cinnamonitrile
CID 6118722

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(4-methylphenyl)-2H-imidazole?
The IUPAC name of 1-bromo-3-(4-methylphenyl)-2H-imidazole (CID 174729207) is 1-bromo-3-(4-methylphenyl)-2H-imidazole.
What is the SMILES notation for 1-bromo-3-(4-methylphenyl)-2H-imidazole?
The canonical SMILES for 1-bromo-3-(4-methylphenyl)-2H-imidazole is Cc1ccc(N2C=CN(Br)C2)cc1.
What is the InChIKey of 1-bromo-3-(4-methylphenyl)-2H-imidazole?
The InChIKey is CCODVFABWCELQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-9-2-4-10(5-3-9)12-6-7-13(11)8-12/h2-7H,8H2,1H3.
What are the key properties of 1-bromo-3-(4-methylphenyl)-2H-imidazole?
1-bromo-3-(4-methylphenyl)-2H-imidazole has a molecular weight of 239.12 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(4-methylphenyl)-2H-imidazole is sourced from PubChem (CID 174729207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).