2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-quinolin-3-ylethanone

C21H16ClN3O — CID 160953844

IUPAC2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-quinolin-3-ylethanone
SMILESO=C(Cc1cn(Cc2cccc(Cl)c2)cn1)c1cnc2ccccc2c1
InChIInChI=1S/C21H16ClN3O/c22-18-6-3-4-15(8-18)12-25-13-19(24-14-25)10-21(26)17-9-16-5-1-2-7-20(16)23-11-17/h1-9,11,13-14H,10,12H2
InChIKeySGYRTMCYBNPNOZ-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.56
Rot. Bonds5

About 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-quinolin-3-ylethanone

2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-quinolin-3-ylethanone (PubChem CID 160953844) has the molecular formula C21H16ClN3O and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-quinolin-3-ylethanone.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-quinolin-3-ylethanone
PubChem CID160953844
Molecular FormulaC21H16ClN3O
Molecular Weight361.83 g/mol
Exact Mass361.10
IUPAC Name2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-quinolin-3-ylethanone
SMILESO=C(Cc1cn(Cc2cccc(Cl)c2)cn1)c1cnc2ccccc2c1
InChIInChI=1S/C21H16ClN3O/c22-18-6-3-4-15(8-18)12-25-13-19(24-14-25)10-21(26)17-9-16-5-1-2-7-20(16)23-11-17/h1-9,11,13-14H,10,12H2
InChIKeySGYRTMCYBNPNOZ-UHFFFAOYSA-N
XLogP4.56
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-quinolin-3-ylethanone?
The IUPAC name of 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-quinolin-3-ylethanone (CID 160953844) is 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-quinolin-3-ylethanone.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-quinolin-3-ylethanone?
The canonical SMILES for 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-quinolin-3-ylethanone is O=C(Cc1cn(Cc2cccc(Cl)c2)cn1)c1cnc2ccccc2c1.
What is the InChIKey of 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-quinolin-3-ylethanone?
The InChIKey is SGYRTMCYBNPNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O/c22-18-6-3-4-15(8-18)12-25-13-19(24-14-25)10-21(26)17-9-16-5-1-2-7-20(16)23-11-17/h1-9,11,13-14H,10,12H2.
What are the key properties of 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-quinolin-3-ylethanone?
2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-quinolin-3-ylethanone has a molecular weight of 361.83 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-quinolin-3-ylethanone is sourced from PubChem (CID 160953844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).