(5-chlorofuran-2-yl)-(1-ethylimidazol-2-yl)methanone

C10H9ClN2O2 — CID 106689394

IUPAC(5-chlorofuran-2-yl)-(1-ethylimidazol-2-yl)methanone
SMILESCCn1ccnc1C(=O)c1ccc(Cl)o1
InChIInChI=1S/C10H9ClN2O2/c1-2-13-6-5-12-10(13)9(14)7-3-4-8(11)15-7/h3-6H,2H2,1H3
InChIKeyNGHKCAREQAJJNX-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.38
Rot. Bonds3

About (5-chlorofuran-2-yl)-(1-ethylimidazol-2-yl)methanone

(5-chlorofuran-2-yl)-(1-ethylimidazol-2-yl)methanone (PubChem CID 106689394) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-(1-ethylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-(1-ethylimidazol-2-yl)methanone
PubChem CID106689394
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name(5-chlorofuran-2-yl)-(1-ethylimidazol-2-yl)methanone
SMILESCCn1ccnc1C(=O)c1ccc(Cl)o1
InChIInChI=1S/C10H9ClN2O2/c1-2-13-6-5-12-10(13)9(14)7-3-4-8(11)15-7/h3-6H,2H2,1H3
InChIKeyNGHKCAREQAJJNX-UHFFFAOYSA-N
XLogP2.38
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(aminomethyl)furan-2-yl]-(1-ethylimidazol-2-yl)methanone
CID 116590098
[4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
CID 116548266
1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone
CID 63975424
(4-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanone
CID 61314198
(1-ethylimidazol-2-yl)-(2-methylphenyl)methanone
CID 61316085
(2-amino-5-methylphenyl)-(1-ethylimidazol-2-yl)methanone
CID 65453989
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024
(1-ethylimidazol-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 61316659
(1-ethylimidazol-2-yl)-(1H-imidazol-2-yl)methanone
CID 18960771
2-(3,4-dimethylphenyl)-1-(1-ethylimidazol-2-yl)ethanone
CID 63975634
(1-ethylimidazol-2-yl)-(6-methyl-2-pyridinyl)methanone
CID 63977122
(5-chlorofuran-2-yl)-(5-ethylfuran-2-yl)methanone
CID 106683821

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-(1-ethylimidazol-2-yl)methanone?
The IUPAC name of (5-chlorofuran-2-yl)-(1-ethylimidazol-2-yl)methanone (CID 106689394) is (5-chlorofuran-2-yl)-(1-ethylimidazol-2-yl)methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-(1-ethylimidazol-2-yl)methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-(1-ethylimidazol-2-yl)methanone is CCn1ccnc1C(=O)c1ccc(Cl)o1.
What is the InChIKey of (5-chlorofuran-2-yl)-(1-ethylimidazol-2-yl)methanone?
The InChIKey is NGHKCAREQAJJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-2-13-6-5-12-10(13)9(14)7-3-4-8(11)15-7/h3-6H,2H2,1H3.
What are the key properties of (5-chlorofuran-2-yl)-(1-ethylimidazol-2-yl)methanone?
(5-chlorofuran-2-yl)-(1-ethylimidazol-2-yl)methanone has a molecular weight of 224.65 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-(1-ethylimidazol-2-yl)methanone is sourced from PubChem (CID 106689394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).