[5-(4-chlorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone

C19H17ClN2O4 — CID 71625641

IUPAC[5-(4-chlorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ncc(-c3ccc(Cl)cc3)[nH]2)cc(OC)c1OC
InChIInChI=1S/C19H17ClN2O4/c1-24-15-8-12(9-16(25-2)18(15)26-3)17(23)19-21-10-14(22-19)11-4-6-13(20)7-5-11/h4-10H,1-3H3,(H,21,22)
InChIKeyCWKHXSNPJDVUBV-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.99
Rot. Bonds6

About [5-(4-chlorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone

[5-(4-chlorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 71625641) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID71625641
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name[5-(4-chlorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ncc(-c3ccc(Cl)cc3)[nH]2)cc(OC)c1OC
InChIInChI=1S/C19H17ClN2O4/c1-24-15-8-12(9-16(25-2)18(15)26-3)17(23)19-21-10-14(22-19)11-4-6-13(20)7-5-11/h4-10H,1-3H3,(H,21,22)
InChIKeyCWKHXSNPJDVUBV-UHFFFAOYSA-N
XLogP3.99
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [5-(4-chlorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 71625641) is [5-(4-chlorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [5-(4-chlorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [5-(4-chlorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2ncc(-c3ccc(Cl)cc3)[nH]2)cc(OC)c1OC.
What is the InChIKey of [5-(4-chlorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is CWKHXSNPJDVUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-24-15-8-12(9-16(25-2)18(15)26-3)17(23)19-21-10-14(22-19)11-4-6-13(20)7-5-11/h4-10H,1-3H3,(H,21,22).
What are the key properties of [5-(4-chlorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
[5-(4-chlorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 372.81 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 71625641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).