[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-(1H-imidazol-2-yl)methanone

C18H12Cl2N4O — CID 58988229

IUPAC[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-(1H-imidazol-2-yl)methanone
SMILESCn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1C(=O)c1ncc[nH]1
InChIInChI=1S/C18H12Cl2N4O/c1-24-16(17(25)18-21-7-8-22-18)13-4-2-3-12(15(13)23-24)11-6-5-10(19)9-14(11)20/h2-9H,1H3,(H,21,22)
InChIKeyVPHWDMNMDLPBAN-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.50
Rot. Bonds3

About [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-(1H-imidazol-2-yl)methanone

[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-(1H-imidazol-2-yl)methanone (PubChem CID 58988229) has the molecular formula C18H12Cl2N4O and a molecular weight of 371.23 g/mol. Its IUPAC name is [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-(1H-imidazol-2-yl)methanone.

Molecular Properties

Compound Name[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-(1H-imidazol-2-yl)methanone
PubChem CID58988229
Molecular FormulaC18H12Cl2N4O
Molecular Weight371.23 g/mol
Exact Mass370.04
IUPAC Name[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-(1H-imidazol-2-yl)methanone
SMILESCn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1C(=O)c1ncc[nH]1
InChIInChI=1S/C18H12Cl2N4O/c1-24-16(17(25)18-21-7-8-22-18)13-4-2-3-12(15(13)23-24)11-6-5-10(19)9-14(11)20/h2-9H,1H3,(H,21,22)
InChIKeyVPHWDMNMDLPBAN-UHFFFAOYSA-N
XLogP4.50
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-(1H-imidazol-2-yl)methanone?
The IUPAC name of [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-(1H-imidazol-2-yl)methanone (CID 58988229) is [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-(1H-imidazol-2-yl)methanone.
What is the SMILES notation for [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-(1H-imidazol-2-yl)methanone?
The canonical SMILES for [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-(1H-imidazol-2-yl)methanone is Cn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1C(=O)c1ncc[nH]1.
What is the InChIKey of [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-(1H-imidazol-2-yl)methanone?
The InChIKey is VPHWDMNMDLPBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O/c1-24-16(17(25)18-21-7-8-22-18)13-4-2-3-12(15(13)23-24)11-6-5-10(19)9-14(11)20/h2-9H,1H3,(H,21,22).
What are the key properties of [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-(1H-imidazol-2-yl)methanone?
[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-(1H-imidazol-2-yl)methanone has a molecular weight of 371.23 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-(1H-imidazol-2-yl)methanone is sourced from PubChem (CID 58988229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).