1-[5-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-4-ethyl-5-methylimidazole

C19H17ClF2N2 — CID 152779282

IUPAC1-[5-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-4-ethyl-5-methylimidazole
SMILESCCc1ncn(-c2cc(Cl)ccc2Cc2c(F)cccc2F)c1C
InChIInChI=1S/C19H17ClF2N2/c1-3-18-12(2)24(11-23-18)19-10-14(20)8-7-13(19)9-15-16(21)5-4-6-17(15)22/h4-8,10-11H,3,9H2,1-2H3
InChIKeySZUNTRMJYUKITQ-UHFFFAOYSA-N
MW346.81 g/mol
LogP5.27
Rot. Bonds4

About 1-[5-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-4-ethyl-5-methylimidazole

1-[5-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-4-ethyl-5-methylimidazole (PubChem CID 152779282) has the molecular formula C19H17ClF2N2 and a molecular weight of 346.81 g/mol. Its IUPAC name is 1-[5-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-4-ethyl-5-methylimidazole.

Molecular Properties

Compound Name1-[5-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-4-ethyl-5-methylimidazole
PubChem CID152779282
Molecular FormulaC19H17ClF2N2
Molecular Weight346.81 g/mol
Exact Mass346.10
IUPAC Name1-[5-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-4-ethyl-5-methylimidazole
SMILESCCc1ncn(-c2cc(Cl)ccc2Cc2c(F)cccc2F)c1C
InChIInChI=1S/C19H17ClF2N2/c1-3-18-12(2)24(11-23-18)19-10-14(20)8-7-13(19)9-15-16(21)5-4-6-17(15)22/h4-8,10-11H,3,9H2,1-2H3
InChIKeySZUNTRMJYUKITQ-UHFFFAOYSA-N
XLogP5.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.81
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(bromomethyl)-5-chlorophenyl]-4,5-dimethylimidazole
CID 107086042
N-[[4-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]methyl]propan-1-amine
CID 114854519
N-[[4-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]methyl]propan-2-amine
CID 114854525
5-[(4-chloro-2-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine
CID 142395310
8-chloro-3-ethyl-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 10016265
3,6-bis[(2,6-difluorophenyl)methyl]-4-methyl-5-methylsulfanylpyridazine
CID 169224869
2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene
CID 15013079
3-[(2-chloro-6-fluorophenyl)methoxy]-1-[(2,4-dichlorophenyl)methyl]-2-methylpyridin-4-one
CID 1490108
1-[2-[(2-chloro-6-fluoro-3-methylphenyl)methyl]phenyl]-2-ethenylimidazole
CID 68867234
1-(5-chloro-2-methylphenyl)-3-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4289754
2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 82730026
1-[2-(4,5-dimethylimidazol-1-yl)-6-fluorophenyl]-N-methylethanamine
CID 62351694

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-4-ethyl-5-methylimidazole?
The IUPAC name of 1-[5-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-4-ethyl-5-methylimidazole (CID 152779282) is 1-[5-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-4-ethyl-5-methylimidazole.
What is the SMILES notation for 1-[5-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-4-ethyl-5-methylimidazole?
The canonical SMILES for 1-[5-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-4-ethyl-5-methylimidazole is CCc1ncn(-c2cc(Cl)ccc2Cc2c(F)cccc2F)c1C.
What is the InChIKey of 1-[5-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-4-ethyl-5-methylimidazole?
The InChIKey is SZUNTRMJYUKITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N2/c1-3-18-12(2)24(11-23-18)19-10-14(20)8-7-13(19)9-15-16(21)5-4-6-17(15)22/h4-8,10-11H,3,9H2,1-2H3.
What are the key properties of 1-[5-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-4-ethyl-5-methylimidazole?
1-[5-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-4-ethyl-5-methylimidazole has a molecular weight of 346.81 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-4-ethyl-5-methylimidazole is sourced from PubChem (CID 152779282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).