[2-butyl-5-chloro-3-[[4-(2-iodophenyl)phenyl]methyl]imidazol-4-yl]methanol

C21H22ClIN2O — CID 19955610

IUPAC[2-butyl-5-chloro-3-[[4-(2-iodophenyl)phenyl]methyl]imidazol-4-yl]methanol
SMILESCCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2I)cc1
InChIInChI=1S/C21H22ClIN2O/c1-2-3-8-20-24-21(22)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)23/h4-7,9-12,26H,2-3,8,13-14H2,1H3
InChIKeyXXYATGYHLNPUOL-UHFFFAOYSA-N
MW480.78 g/mol
LogP5.69
Rot. Bonds7

About [2-butyl-5-chloro-3-[[4-(2-iodophenyl)phenyl]methyl]imidazol-4-yl]methanol

[2-butyl-5-chloro-3-[[4-(2-iodophenyl)phenyl]methyl]imidazol-4-yl]methanol (PubChem CID 19955610) has the molecular formula C21H22ClIN2O and a molecular weight of 480.78 g/mol. Its IUPAC name is [2-butyl-5-chloro-3-[[4-(2-iodophenyl)phenyl]methyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-butyl-5-chloro-3-[[4-(2-iodophenyl)phenyl]methyl]imidazol-4-yl]methanol
PubChem CID19955610
Molecular FormulaC21H22ClIN2O
Molecular Weight480.78 g/mol
Exact Mass480.05
IUPAC Name[2-butyl-5-chloro-3-[[4-(2-iodophenyl)phenyl]methyl]imidazol-4-yl]methanol
SMILESCCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2I)cc1
InChIInChI=1S/C21H22ClIN2O/c1-2-3-8-20-24-21(22)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)23/h4-7,9-12,26H,2-3,8,13-14H2,1H3
InChIKeyXXYATGYHLNPUOL-UHFFFAOYSA-N
XLogP5.69
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.78
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 3961
potassium [2-butyl-5-chloro-3-[[4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 11751549
dipotassium bis([2-butyl-5-chloro-3-[[4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol)
CID 141081741
3-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]thiophene-2-carboxylic acid
CID 10046848
[5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(4,4,4-trideuteriobutyl)imidazol-4-yl]methanol
CID 45039667
2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde;[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 167599021
[2-butyl-5-chloro-3-[[4-[5-phenyl-2-(4H-triazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 167709888
5-[2-[4-[(2,5-dibutyl-4-chloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole;ethane
CID 145006110
2-[4-[[2-butyl-4-chloro-5-(ethoxymethyl)imidazol-1-yl]methyl]phenyl]aniline
CID 154357337
2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzonitrile;[2-butyl-5-chloro-3-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 88626151
potassium;[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol;hydride
CID 173289798
[5-butyl-4-chloro-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-yl]methanol
CID 70684421

Frequently Asked Questions

What is the IUPAC name of [2-butyl-5-chloro-3-[[4-(2-iodophenyl)phenyl]methyl]imidazol-4-yl]methanol?
The IUPAC name of [2-butyl-5-chloro-3-[[4-(2-iodophenyl)phenyl]methyl]imidazol-4-yl]methanol (CID 19955610) is [2-butyl-5-chloro-3-[[4-(2-iodophenyl)phenyl]methyl]imidazol-4-yl]methanol.
What is the SMILES notation for [2-butyl-5-chloro-3-[[4-(2-iodophenyl)phenyl]methyl]imidazol-4-yl]methanol?
The canonical SMILES for [2-butyl-5-chloro-3-[[4-(2-iodophenyl)phenyl]methyl]imidazol-4-yl]methanol is CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2I)cc1.
What is the InChIKey of [2-butyl-5-chloro-3-[[4-(2-iodophenyl)phenyl]methyl]imidazol-4-yl]methanol?
The InChIKey is XXYATGYHLNPUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClIN2O/c1-2-3-8-20-24-21(22)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)23/h4-7,9-12,26H,2-3,8,13-14H2,1H3.
What are the key properties of [2-butyl-5-chloro-3-[[4-(2-iodophenyl)phenyl]methyl]imidazol-4-yl]methanol?
[2-butyl-5-chloro-3-[[4-(2-iodophenyl)phenyl]methyl]imidazol-4-yl]methanol has a molecular weight of 480.78 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butyl-5-chloro-3-[[4-(2-iodophenyl)phenyl]methyl]imidazol-4-yl]methanol is sourced from PubChem (CID 19955610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).