2-[(3-bromophenyl)methyl]-1-[(2-chloro-6-fluorophenyl)methyl]imidazole

C17H13BrClFN2 — CID 82561893

IUPAC2-[(3-bromophenyl)methyl]-1-[(2-chloro-6-fluorophenyl)methyl]imidazole
SMILESFc1cccc(Cl)c1Cn1ccnc1Cc1cccc(Br)c1
InChIInChI=1S/C17H13BrClFN2/c18-13-4-1-3-12(9-13)10-17-21-7-8-22(17)11-14-15(19)5-2-6-16(14)20/h1-9H,10-11H2
InChIKeySXFSUEWRLSCXFW-UHFFFAOYSA-N
MW379.66 g/mol
LogP5.08
Rot. Bonds4

About 2-[(3-bromophenyl)methyl]-1-[(2-chloro-6-fluorophenyl)methyl]imidazole

2-[(3-bromophenyl)methyl]-1-[(2-chloro-6-fluorophenyl)methyl]imidazole (PubChem CID 82561893) has the molecular formula C17H13BrClFN2 and a molecular weight of 379.66 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-1-[(2-chloro-6-fluorophenyl)methyl]imidazole.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-1-[(2-chloro-6-fluorophenyl)methyl]imidazole
PubChem CID82561893
Molecular FormulaC17H13BrClFN2
Molecular Weight379.66 g/mol
Exact Mass377.99
IUPAC Name2-[(3-bromophenyl)methyl]-1-[(2-chloro-6-fluorophenyl)methyl]imidazole
SMILESFc1cccc(Cl)c1Cn1ccnc1Cc1cccc(Br)c1
InChIInChI=1S/C17H13BrClFN2/c18-13-4-1-3-12(9-13)10-17-21-7-8-22(17)11-14-15(19)5-2-6-16(14)20/h1-9H,10-11H2
InChIKeySXFSUEWRLSCXFW-UHFFFAOYSA-N
XLogP5.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.66
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558174
1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561963
4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560108
[3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558173
4-[2-[(3-bromophenyl)methyl]imidazol-1-yl]butan-1-amine
CID 82558169
1-[(3-bromophenyl)methyl]-2-ethylimidazole
CID 55150590
3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazin-2-one
CID 114561600
2-[(3-bromo-5-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]imidazole
CID 82562006
N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(cyclopentylmethyl)cyclopropanamine
CID 42695024
2-[(3-bromophenyl)methyl]-1-[(2,3-dimethoxyphenyl)methyl]imidazole
CID 82561895
2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole
CID 62223786
1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561962

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-1-[(2-chloro-6-fluorophenyl)methyl]imidazole?
The IUPAC name of 2-[(3-bromophenyl)methyl]-1-[(2-chloro-6-fluorophenyl)methyl]imidazole (CID 82561893) is 2-[(3-bromophenyl)methyl]-1-[(2-chloro-6-fluorophenyl)methyl]imidazole.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-1-[(2-chloro-6-fluorophenyl)methyl]imidazole?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-1-[(2-chloro-6-fluorophenyl)methyl]imidazole is Fc1cccc(Cl)c1Cn1ccnc1Cc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-1-[(2-chloro-6-fluorophenyl)methyl]imidazole?
The InChIKey is SXFSUEWRLSCXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClFN2/c18-13-4-1-3-12(9-13)10-17-21-7-8-22(17)11-14-15(19)5-2-6-16(14)20/h1-9H,10-11H2.
What are the key properties of 2-[(3-bromophenyl)methyl]-1-[(2-chloro-6-fluorophenyl)methyl]imidazole?
2-[(3-bromophenyl)methyl]-1-[(2-chloro-6-fluorophenyl)methyl]imidazole has a molecular weight of 379.66 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-1-[(2-chloro-6-fluorophenyl)methyl]imidazole is sourced from PubChem (CID 82561893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).