(3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanol

C11H10ClFN2O — CID 64713098

IUPAC(3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)c1cccc(Cl)c1F
InChIInChI=1S/C11H10ClFN2O/c1-15-6-5-14-11(15)10(16)7-3-2-4-8(12)9(7)13/h2-6,10,16H,1H3
InChIKeyMQSPRHRLJNTACL-UHFFFAOYSA-N
MW240.67 g/mol
LogP2.29
Rot. Bonds2

About (3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanol

(3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanol (PubChem CID 64713098) has the molecular formula C11H10ClFN2O and a molecular weight of 240.67 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanol
PubChem CID64713098
Molecular FormulaC11H10ClFN2O
Molecular Weight240.67 g/mol
Exact Mass240.05
IUPAC Name(3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)c1cccc(Cl)c1F
InChIInChI=1S/C11H10ClFN2O/c1-15-6-5-14-11(15)10(16)7-3-2-4-8(12)9(7)13/h2-6,10,16H,1H3
InChIKeyMQSPRHRLJNTACL-UHFFFAOYSA-N
XLogP2.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 79755971
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(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol
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(1S)-1-(3-chloro-2-fluorophenyl)ethanol
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(3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanol
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[(2-chloro-6-fluorophenyl)-(1-methylimidazol-2-yl)methyl]hydrazine
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2,3-dichloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanol?
The IUPAC name of (3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanol (CID 64713098) is (3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanol is Cn1ccnc1C(O)c1cccc(Cl)c1F.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanol?
The InChIKey is MQSPRHRLJNTACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-15-6-5-14-11(15)10(16)7-3-2-4-8(12)9(7)13/h2-6,10,16H,1H3.
What are the key properties of (3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanol?
(3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanol has a molecular weight of 240.67 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 64713098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).