4-[[2-(4-bromophenoxy)imidazol-1-yl]methyl]benzonitrile

C17H12BrN3O — CID 54020361

IUPAC4-[[2-(4-bromophenoxy)imidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cn2ccnc2Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H12BrN3O/c18-15-5-7-16(8-6-15)22-17-20-9-10-21(17)12-14-3-1-13(11-19)2-4-14/h1-10H,12H2
InChIKeyKYMNYBRQZIZWNG-UHFFFAOYSA-N
MW354.21 g/mol
LogP4.36
Rot. Bonds4

About 4-[[2-(4-bromophenoxy)imidazol-1-yl]methyl]benzonitrile

4-[[2-(4-bromophenoxy)imidazol-1-yl]methyl]benzonitrile (PubChem CID 54020361) has the molecular formula C17H12BrN3O and a molecular weight of 354.21 g/mol. Its IUPAC name is 4-[[2-(4-bromophenoxy)imidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-(4-bromophenoxy)imidazol-1-yl]methyl]benzonitrile
PubChem CID54020361
Molecular FormulaC17H12BrN3O
Molecular Weight354.21 g/mol
Exact Mass353.02
IUPAC Name4-[[2-(4-bromophenoxy)imidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cn2ccnc2Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H12BrN3O/c18-15-5-7-16(8-6-15)22-17-20-9-10-21(17)12-14-3-1-13(11-19)2-4-14/h1-10H,12H2
InChIKeyKYMNYBRQZIZWNG-UHFFFAOYSA-N
XLogP4.36
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 172803165
4-[(2-cyclopropylimidazol-1-yl)methyl]benzonitrile
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1-[(4-cyanophenyl)methyl]imidazole-2-carboxylic acid
CID 91437687
4-[[2-[(4-chlorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561420
4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzonitrile
CID 82561753
4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 66403439
4-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561404
3-(1-benzylimidazol-2-yl)oxypyridine
CID 172726556
4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 55048804
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(4-cyanophenoxy)acetamide
CID 7504756
4-[[3-[[2-(4-bromophenyl)ethyl-[(4-phenoxyphenyl)methyl]amino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile
CID 23575114
4-[(2-pyridin-3-ylimidazol-1-yl)methyl]benzonitrile
CID 67058001

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-bromophenoxy)imidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[2-(4-bromophenoxy)imidazol-1-yl]methyl]benzonitrile (CID 54020361) is 4-[[2-(4-bromophenoxy)imidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[2-(4-bromophenoxy)imidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[2-(4-bromophenoxy)imidazol-1-yl]methyl]benzonitrile is N#Cc1ccc(Cn2ccnc2Oc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[[2-(4-bromophenoxy)imidazol-1-yl]methyl]benzonitrile?
The InChIKey is KYMNYBRQZIZWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O/c18-15-5-7-16(8-6-15)22-17-20-9-10-21(17)12-14-3-1-13(11-19)2-4-14/h1-10H,12H2.
What are the key properties of 4-[[2-(4-bromophenoxy)imidazol-1-yl]methyl]benzonitrile?
4-[[2-(4-bromophenoxy)imidazol-1-yl]methyl]benzonitrile has a molecular weight of 354.21 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-bromophenoxy)imidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 54020361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).