(3-chloro-4-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methanol

C11H10ClFN2O — CID 177133956

IUPAC(3-chloro-4-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methanol
SMILESCc1cnc(C(O)c2ccc(F)c(Cl)c2)[nH]1
InChIInChI=1S/C11H10ClFN2O/c1-6-5-14-11(15-6)10(16)7-2-3-9(13)8(12)4-7/h2-5,10,16H,1H3,(H,14,15)
InChIKeyPMRBQAYFVZDAEV-UHFFFAOYSA-N
MW240.66 g/mol
LogP2.59
Rot. Bonds2

About (3-chloro-4-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methanol

(3-chloro-4-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methanol (PubChem CID 177133956) has the molecular formula C11H10ClFN2O and a molecular weight of 240.66 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methanol.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methanol
PubChem CID177133956
Molecular FormulaC11H10ClFN2O
Molecular Weight240.66 g/mol
Exact Mass240.05
IUPAC Name(3-chloro-4-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methanol
SMILESCc1cnc(C(O)c2ccc(F)c(Cl)c2)[nH]1
InChIInChI=1S/C11H10ClFN2O/c1-6-5-14-11(15-6)10(16)7-2-3-9(13)8(12)4-7/h2-5,10,16H,1H3,(H,14,15)
InChIKeyPMRBQAYFVZDAEV-UHFFFAOYSA-N
XLogP2.59
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chloro-4-fluorophenyl)-(3-ethyl-4-fluorophenyl)methyl]-5-methyl-1H-imidazole
CID 177134154
2-[(3-chloro-4-fluorophenyl)-(3-ethyl-4-fluorophenyl)methyl]-5-methyl-1H-imidazole;ethane
CID 177134153
(3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol
CID 63094658
N-[(R)-(3-chloro-4-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methyl]-6-(1,1-difluoroethyl)-5-fluoropyridin-2-amine;methanethiol
CID 177133944
(S)-(3-chloro-4-fluorophenyl)-(5-methylthiophen-2-yl)methanol
CID 97001534
(3-chloro-4-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879411
(3-chloro-4-fluorophenyl)-(3,4-dimethyl-1H-pyrrol-2-yl)methanol
CID 114273340
(3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol
CID 82879548
(3-chloro-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol
CID 102764385
CID 177134189
CID 177134189
(4-butan-2-ylphenyl)-(3-chloro-4-fluorophenyl)methanol
CID 82879198
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 63094497

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methanol?
The IUPAC name of (3-chloro-4-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methanol (CID 177133956) is (3-chloro-4-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methanol.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methanol?
The canonical SMILES for (3-chloro-4-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methanol is Cc1cnc(C(O)c2ccc(F)c(Cl)c2)[nH]1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methanol?
The InChIKey is PMRBQAYFVZDAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-6-5-14-11(15-6)10(16)7-2-3-9(13)8(12)4-7/h2-5,10,16H,1H3,(H,14,15).
What are the key properties of (3-chloro-4-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methanol?
(3-chloro-4-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methanol has a molecular weight of 240.66 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methanol is sourced from PubChem (CID 177133956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).