[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methanol

C11H10ClFN2O — CID 103038769

IUPAC[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methanol
SMILESOCc1nccn1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H10ClFN2O/c12-9-5-8(1-2-10(9)13)6-15-4-3-14-11(15)7-16/h1-5,16H,6-7H2
InChIKeyYFMLNFZXMIOCRM-UHFFFAOYSA-N
MW240.67 g/mol
LogP2.22
Rot. Bonds3

About [1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methanol

[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methanol (PubChem CID 103038769) has the molecular formula C11H10ClFN2O and a molecular weight of 240.67 g/mol. Its IUPAC name is [1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methanol
PubChem CID103038769
Molecular FormulaC11H10ClFN2O
Molecular Weight240.67 g/mol
Exact Mass240.05
IUPAC Name[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methanol
SMILESOCc1nccn1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H10ClFN2O/c12-9-5-8(1-2-10(9)13)6-15-4-3-14-11(15)7-16/h1-5,16H,6-7H2
InChIKeyYFMLNFZXMIOCRM-UHFFFAOYSA-N
XLogP2.22
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-[[2-(hydroxymethyl)imidazol-1-yl]methyl]benzonitrile
CID 114012520
N-[[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 103038794
[1-[(4-aminophenyl)methyl]imidazol-2-yl]methanol
CID 69208976
2-[1-[(4-chloro-3-fluorophenyl)methyl]imidazol-2-yl]ethanamine
CID 107886659
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride
CID 2779195
1-[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]-N-methylmethanamine
CID 42656322
1-[(3-bromo-4-fluorophenyl)methyl]-2-(2,2,2-trifluoroethyl)imidazole
CID 82561760
[5-[(2-ethylimidazol-1-yl)methyl]-2-fluorophenyl]boronic acid
CID 54970735
[4-[(2-ethylimidazol-1-yl)methyl]phenyl]methanol
CID 110005702
2-[(4-bromophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]imidazole
CID 82561862
1-[(3-bromo-4-fluorophenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]imidazole
CID 82561916
[4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558352

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methanol?
The IUPAC name of [1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methanol (CID 103038769) is [1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methanol.
What is the SMILES notation for [1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methanol?
The canonical SMILES for [1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methanol is OCc1nccn1Cc1ccc(F)c(Cl)c1.
What is the InChIKey of [1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methanol?
The InChIKey is YFMLNFZXMIOCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c12-9-5-8(1-2-10(9)13)6-15-4-3-14-11(15)7-16/h1-5,16H,6-7H2.
What are the key properties of [1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methanol?
[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methanol has a molecular weight of 240.67 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methanol is sourced from PubChem (CID 103038769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).