1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole

C17H13BrCl2N2 — CID 82561963

IUPAC1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
SMILESClc1cc(Cl)cc(Cc2nccn2Cc2cccc(Br)c2)c1
InChIInChI=1S/C17H13BrCl2N2/c18-14-3-1-2-12(6-14)11-22-5-4-21-17(22)9-13-7-15(19)10-16(20)8-13/h1-8,10H,9,11H2
InChIKeyVRGMNKGNXMFDCZ-UHFFFAOYSA-N
MW396.12 g/mol
LogP5.59
Rot. Bonds4

About 1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole

1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole (PubChem CID 82561963) has the molecular formula C17H13BrCl2N2 and a molecular weight of 396.12 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
PubChem CID82561963
Molecular FormulaC17H13BrCl2N2
Molecular Weight396.12 g/mol
Exact Mass393.96
IUPAC Name1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
SMILESClc1cc(Cl)cc(Cc2nccn2Cc2cccc(Br)c2)c1
InChIInChI=1S/C17H13BrCl2N2/c18-14-3-1-2-12(6-14)11-22-5-4-21-17(22)9-13-7-15(19)10-16(20)8-13/h1-8,10H,9,11H2
InChIKeyVRGMNKGNXMFDCZ-UHFFFAOYSA-N
XLogP5.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.12
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561962
[4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558528
[4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558174
[3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558173
4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560108
4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82558525
2-[(3-bromo-5-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]imidazole
CID 82562006
1-[(3-bromophenyl)methyl]-2-ethylimidazole
CID 55150590
4-[[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82558475
2-[(3-bromophenyl)methyl]-1-[(2-chloro-6-fluorophenyl)methyl]imidazole
CID 82561893
2-[(4-bromophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]imidazole
CID 82561862
4-[2-[(3-bromophenyl)methyl]imidazol-1-yl]butan-1-amine
CID 82558169

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole?
The IUPAC name of 1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole (CID 82561963) is 1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole is Clc1cc(Cl)cc(Cc2nccn2Cc2cccc(Br)c2)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole?
The InChIKey is VRGMNKGNXMFDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrCl2N2/c18-14-3-1-2-12(6-14)11-22-5-4-21-17(22)9-13-7-15(19)10-16(20)8-13/h1-8,10H,9,11H2.
What are the key properties of 1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole?
1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole has a molecular weight of 396.12 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole is sourced from PubChem (CID 82561963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).