2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methoxy-2-pyridinyl)ethanone

C18H16ClN3O2 — CID 160953842

IUPAC2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methoxy-2-pyridinyl)ethanone
SMILESCOc1cccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)n1
InChIInChI=1S/C18H16ClN3O2/c1-24-18-7-3-6-16(21-18)17(23)9-15-11-22(12-20-15)10-13-4-2-5-14(19)8-13/h2-8,11-12H,9-10H2,1H3
InChIKeyXEYIDAICANUDKA-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.41
Rot. Bonds6

About 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methoxy-2-pyridinyl)ethanone

2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methoxy-2-pyridinyl)ethanone (PubChem CID 160953842) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methoxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methoxy-2-pyridinyl)ethanone
PubChem CID160953842
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methoxy-2-pyridinyl)ethanone
SMILESCOc1cccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)n1
InChIInChI=1S/C18H16ClN3O2/c1-24-18-7-3-6-16(21-18)17(23)9-15-11-22(12-20-15)10-13-4-2-5-14(19)8-13/h2-8,11-12H,9-10H2,1H3
InChIKeyXEYIDAICANUDKA-UHFFFAOYSA-N
XLogP3.41
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dihydroxyphenyl)ethanone
CID 161085274
2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-quinolin-3-ylethanone
CID 160953844
2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-inden-5-yl)ethanone
CID 158486582
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetamide
CID 159939674
methyl 3-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]propanoate
CID 167957271
2-(3-chlorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 55221466
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1H-pyrrole-3-carboxamide
CID 130384067
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide
CID 130384069
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-4-methylsulfonylbenzamide
CID 130384064
1-(6-methoxy-2-pyridinyl)-3-phenylpropane-1,3-dione
CID 156773654
5-[(E)-3-[[1-[(3-chlorophenyl)methyl]imidazol-4-yl]amino]-3-oxoprop-1-enyl]pyridine-2-carboxylic acid;methyl 5-[(E)-3-[[1-[(3-chlorophenyl)methyl]imidazol-4-yl]amino]-3-oxoprop-1-enyl]pyridine-2-carboxylate
CID 160726114
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-5-(fluoromethyl)-6-(hydroxymethyl)pyridine-3-carboxamide
CID 142742815

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methoxy-2-pyridinyl)ethanone?
The IUPAC name of 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methoxy-2-pyridinyl)ethanone (CID 160953842) is 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methoxy-2-pyridinyl)ethanone.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methoxy-2-pyridinyl)ethanone?
The canonical SMILES for 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methoxy-2-pyridinyl)ethanone is COc1cccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)n1.
What is the InChIKey of 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methoxy-2-pyridinyl)ethanone?
The InChIKey is XEYIDAICANUDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-24-18-7-3-6-16(21-18)17(23)9-15-11-22(12-20-15)10-13-4-2-5-14(19)8-13/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methoxy-2-pyridinyl)ethanone?
2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methoxy-2-pyridinyl)ethanone has a molecular weight of 341.80 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methoxy-2-pyridinyl)ethanone is sourced from PubChem (CID 160953842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).