(4-imidazol-1-ylphenyl)methyl 1-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxylate

C21H21N3O3 — CID 166360265

IUPAC(4-imidazol-1-ylphenyl)methyl 1-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxylate
SMILESCOc1ccc(C2(C(=O)OCc3ccc(-n4ccnc4)cc3)CCC2)cn1
InChIInChI=1S/C21H21N3O3/c1-26-19-8-5-17(13-23-19)21(9-2-10-21)20(25)27-14-16-3-6-18(7-4-16)24-12-11-22-15-24/h3-8,11-13,15H,2,9-10,14H2,1H3
InChIKeyBIZZWKOKBHYQBX-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.44
Rot. Bonds6

About (4-imidazol-1-ylphenyl)methyl 1-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxylate

(4-imidazol-1-ylphenyl)methyl 1-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxylate (PubChem CID 166360265) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is (4-imidazol-1-ylphenyl)methyl 1-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Name(4-imidazol-1-ylphenyl)methyl 1-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxylate
PubChem CID166360265
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name(4-imidazol-1-ylphenyl)methyl 1-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxylate
SMILESCOc1ccc(C2(C(=O)OCc3ccc(-n4ccnc4)cc3)CCC2)cn1
InChIInChI=1S/C21H21N3O3/c1-26-19-8-5-17(13-23-19)21(9-2-10-21)20(25)27-14-16-3-6-18(7-4-16)24-12-11-22-15-24/h3-8,11-13,15H,2,9-10,14H2,1H3
InChIKeyBIZZWKOKBHYQBX-UHFFFAOYSA-N
XLogP3.44
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-imidazol-1-ylphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 86850595
4-imidazol-1-yl-N-(6-methoxy-3-pyridinyl)benzamide
CID 31532934
1-(4-imidazol-1-ylphenyl)cyclopentane-1-carboxylic acid
CID 117394133
1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
CID 132544165
1-[1-(4-imidazol-1-ylphenyl)cyclopropyl]ethanamine
CID 117327392
methyl 2-[(4-imidazol-1-ylphenyl)methyl-methylamino]acetate
CID 60698042
2-(4-imidazol-1-ylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]acetamide
CID 136557380
2-[1-(6-methoxy-3-pyridinyl)cyclopropyl]acetamide
CID 139882127
1-[4-hydroxy-4-(4-imidazol-1-ylphenyl)piperidin-1-yl]ethanone
CID 23118279
2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride
CID 122163959
(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100546752
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(6-methoxy-3-pyridinyl)azetidine-3-carboxamide
CID 122161195

Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-ylphenyl)methyl 1-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxylate?
The IUPAC name of (4-imidazol-1-ylphenyl)methyl 1-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxylate (CID 166360265) is (4-imidazol-1-ylphenyl)methyl 1-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxylate.
What is the SMILES notation for (4-imidazol-1-ylphenyl)methyl 1-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxylate?
The canonical SMILES for (4-imidazol-1-ylphenyl)methyl 1-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxylate is COc1ccc(C2(C(=O)OCc3ccc(-n4ccnc4)cc3)CCC2)cn1.
What is the InChIKey of (4-imidazol-1-ylphenyl)methyl 1-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxylate?
The InChIKey is BIZZWKOKBHYQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-26-19-8-5-17(13-23-19)21(9-2-10-21)20(25)27-14-16-3-6-18(7-4-16)24-12-11-22-15-24/h3-8,11-13,15H,2,9-10,14H2,1H3.
What are the key properties of (4-imidazol-1-ylphenyl)methyl 1-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxylate?
(4-imidazol-1-ylphenyl)methyl 1-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxylate has a molecular weight of 363.42 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazol-1-ylphenyl)methyl 1-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 166360265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).