(4-chloro-2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanone

C11H7ClF2N2O — CID 82772383

IUPAC(4-chloro-2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C11H7ClF2N2O/c1-16-3-2-15-11(16)10(17)6-4-9(14)7(12)5-8(6)13/h2-5H,1H3
InChIKeyCAXJKGLAPMCRPK-UHFFFAOYSA-N
MW256.64 g/mol
LogP2.58
Rot. Bonds2

About (4-chloro-2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanone

(4-chloro-2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanone (PubChem CID 82772383) has the molecular formula C11H7ClF2N2O and a molecular weight of 256.64 g/mol. Its IUPAC name is (4-chloro-2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanone
PubChem CID82772383
Molecular FormulaC11H7ClF2N2O
Molecular Weight256.64 g/mol
Exact Mass256.02
IUPAC Name(4-chloro-2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C11H7ClF2N2O/c1-16-3-2-15-11(16)10(17)6-4-9(14)7(12)5-8(6)13/h2-5H,1H3
InChIKeyCAXJKGLAPMCRPK-UHFFFAOYSA-N
XLogP2.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.64
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 39951792
(2-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanone
CID 106863437
(4-bromo-3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanone
CID 106761879
tris(bis(1-methylimidazol-2-yl)methanone);iron(2+);dichloride;hexahydrate
CID 139059297
(2,6-dichloro-4-pyridinyl)-(1-methylimidazol-2-yl)methanone
CID 54233902
(2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 107475698
(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanone
CID 114641937
(5-chloro-2-methoxy-3-methylphenyl)-(1-methylimidazol-2-yl)methanone
CID 82486462
(3-ethyl-1-methylpyrazol-4-yl)-(1-methylimidazol-2-yl)methanone
CID 102811727
(4-chloro-2,5-difluorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 82772594
[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-(1-methylimidazol-2-yl)methanone
CID 18332482
(3-fluoro-4-propan-2-yloxyphenyl)-(1-methylimidazol-2-yl)methanone
CID 82485496

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanone?
The IUPAC name of (4-chloro-2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanone (CID 82772383) is (4-chloro-2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for (4-chloro-2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for (4-chloro-2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)c1cc(F)c(Cl)cc1F.
What is the InChIKey of (4-chloro-2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanone?
The InChIKey is CAXJKGLAPMCRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2O/c1-16-3-2-15-11(16)10(17)6-4-9(14)7(12)5-8(6)13/h2-5H,1H3.
What are the key properties of (4-chloro-2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanone?
(4-chloro-2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanone has a molecular weight of 256.64 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 82772383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).