[1-[3-(2-chlorophenyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone;1-methylimidazole

C24H19ClN4O2 — CID 67430070

IUPAC[1-[3-(2-chlorophenyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone;1-methylimidazole
SMILESCn1ccnc1.O=C(c1cn(-c2cccc(-c3ccccc3Cl)c2)cn1)c1ccco1
InChIInChI=1S/C20H13ClN2O2.C4H6N2/c21-17-8-2-1-7-16(17)14-5-3-6-15(11-14)23-12-18(22-13-23)20(24)19-9-4-10-25-19;1-6-3-2-5-4-6/h1-13H;2-4H,1H3
InChIKeyQJLYFVDUOBXPJD-UHFFFAOYSA-N
MW430.90 g/mol
LogP5.44
Rot. Bonds4

About [1-[3-(2-chlorophenyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone;1-methylimidazole

[1-[3-(2-chlorophenyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone;1-methylimidazole (PubChem CID 67430070) has the molecular formula C24H19ClN4O2 and a molecular weight of 430.90 g/mol. Its IUPAC name is [1-[3-(2-chlorophenyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone;1-methylimidazole.

Molecular Properties

Compound Name[1-[3-(2-chlorophenyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone;1-methylimidazole
PubChem CID67430070
Molecular FormulaC24H19ClN4O2
Molecular Weight430.90 g/mol
Exact Mass430.12
IUPAC Name[1-[3-(2-chlorophenyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone;1-methylimidazole
SMILESCn1ccnc1.O=C(c1cn(-c2cccc(-c3ccccc3Cl)c2)cn1)c1ccco1
InChIInChI=1S/C20H13ClN2O2.C4H6N2/c21-17-8-2-1-7-16(17)14-5-3-6-15(11-14)23-12-18(22-13-23)20(24)19-9-4-10-25-19;1-6-3-2-5-4-6/h1-13H;2-4H,1H3
InChIKeyQJLYFVDUOBXPJD-UHFFFAOYSA-N
XLogP5.44
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.90
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

furan-2-yl-[1-[3-(2-methoxyphenyl)phenyl]imidazol-4-yl]methanone
CID 67430389
[1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone
CID 67429019
2-[4-(furan-2-carbonyl)imidazol-1-yl]-6-phenylbenzonitrile
CID 174549260
[1-[3-(3-fluoro-4-pyridinyl)phenyl]imidazol-4-yl]-pyridin-2-ylmethanone;furan
CID 159044430
furan-2-yl(phenyl)methanone;1-phenylimidazole
CID 70272255
2-[3-[4-(3-methoxybenzoyl)imidazol-1-yl]phenyl]benzonitrile
CID 67430776
(2-methoxyphenyl)-[1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazol-4-yl]methanone
CID 67429654
[1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone
CID 67430473
furan-2-yl-(1-methylpyrrol-3-yl)methanone
CID 82280498
1-bromo-4-fluorobenzene;[1-[3-(3-fluoro-2-methoxyphenyl)phenyl]imidazol-4-yl]-(3-fluorophenyl)methanone
CID 67429012
1-bromo-3-methoxybenzene;[1-[3-(3-fluoro-2-methoxyphenyl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone
CID 67430373
1-(3-imidazol-1-ylphenyl)propan-2-one
CID 82607597

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-chlorophenyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone;1-methylimidazole?
The IUPAC name of [1-[3-(2-chlorophenyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone;1-methylimidazole (CID 67430070) is [1-[3-(2-chlorophenyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone;1-methylimidazole.
What is the SMILES notation for [1-[3-(2-chlorophenyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone;1-methylimidazole?
The canonical SMILES for [1-[3-(2-chlorophenyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone;1-methylimidazole is Cn1ccnc1.O=C(c1cn(-c2cccc(-c3ccccc3Cl)c2)cn1)c1ccco1.
What is the InChIKey of [1-[3-(2-chlorophenyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone;1-methylimidazole?
The InChIKey is QJLYFVDUOBXPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O2.C4H6N2/c21-17-8-2-1-7-16(17)14-5-3-6-15(11-14)23-12-18(22-13-23)20(24)19-9-4-10-25-19;1-6-3-2-5-4-6/h1-13H;2-4H,1H3.
What are the key properties of [1-[3-(2-chlorophenyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone;1-methylimidazole?
[1-[3-(2-chlorophenyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone;1-methylimidazole has a molecular weight of 430.90 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-chlorophenyl)phenyl]imidazol-4-yl]-(furan-2-yl)methanone;1-methylimidazole is sourced from PubChem (CID 67430070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).