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

C19H19BrN2O2 — CID 82561895

IUPAC2-[(3-bromophenyl)methyl]-1-[(2,3-dimethoxyphenyl)methyl]imidazole
SMILESCOc1cccc(Cn2ccnc2Cc2cccc(Br)c2)c1OC
InChIInChI=1S/C19H19BrN2O2/c1-23-17-8-4-6-15(19(17)24-2)13-22-10-9-21-18(22)12-14-5-3-7-16(20)11-14/h3-11H,12-13H2,1-2H3
InChIKeyXFRQVBGQDMXNCT-UHFFFAOYSA-N
MW387.28 g/mol
LogP4.30
Rot. Bonds6

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

2-[(3-bromophenyl)methyl]-1-[(2,3-dimethoxyphenyl)methyl]imidazole (PubChem CID 82561895) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-1-[(2,3-dimethoxyphenyl)methyl]imidazole.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-1-[(2,3-dimethoxyphenyl)methyl]imidazole
PubChem CID82561895
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name2-[(3-bromophenyl)methyl]-1-[(2,3-dimethoxyphenyl)methyl]imidazole
SMILESCOc1cccc(Cn2ccnc2Cc2cccc(Br)c2)c1OC
InChIInChI=1S/C19H19BrN2O2/c1-23-17-8-4-6-15(19(17)24-2)13-22-10-9-21-18(22)12-14-5-3-7-16(20)11-14/h3-11H,12-13H2,1-2H3
InChIKeyXFRQVBGQDMXNCT-UHFFFAOYSA-N
XLogP4.30
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558174
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
1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561963
1-[(3-bromophenyl)methyl]-2-ethylimidazole
CID 55150590
2-[(3-bromophenyl)methyl]-1-[(2-chloro-6-fluorophenyl)methyl]imidazole
CID 82561893
4-[2-[(3-bromophenyl)methyl]imidazol-1-yl]butan-1-amine
CID 82558169
[1-[(2-chloro-3-methoxyphenyl)methyl]imidazol-2-yl]methanol
CID 166381140
[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]methanamine;hydrochloride
CID 162423000
3-[(3-bromophenyl)methyl]-5-methoxyimidazo[1,5-a]pyridine
CID 117140557
2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82557938
2-[[2-[(2-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzenecarbothioamide
CID 82557961

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-1-[(2,3-dimethoxyphenyl)methyl]imidazole?
The IUPAC name of 2-[(3-bromophenyl)methyl]-1-[(2,3-dimethoxyphenyl)methyl]imidazole (CID 82561895) is 2-[(3-bromophenyl)methyl]-1-[(2,3-dimethoxyphenyl)methyl]imidazole.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-1-[(2,3-dimethoxyphenyl)methyl]imidazole?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-1-[(2,3-dimethoxyphenyl)methyl]imidazole is COc1cccc(Cn2ccnc2Cc2cccc(Br)c2)c1OC.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-1-[(2,3-dimethoxyphenyl)methyl]imidazole?
The InChIKey is XFRQVBGQDMXNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-23-17-8-4-6-15(19(17)24-2)13-22-10-9-21-18(22)12-14-5-3-7-16(20)11-14/h3-11H,12-13H2,1-2H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-1-[(2,3-dimethoxyphenyl)methyl]imidazole?
2-[(3-bromophenyl)methyl]-1-[(2,3-dimethoxyphenyl)methyl]imidazole has a molecular weight of 387.28 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-1-[(2,3-dimethoxyphenyl)methyl]imidazole is sourced from PubChem (CID 82561895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).