N-[2-(2,5-dichlorophenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide

C21H19Cl2N3O2 — CID 10223621

IUPACN-[2-(2,5-dichlorophenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCc1c(C(=O)Nn2c(C)cnc2-c2cc(Cl)ccc2Cl)ccc2c1CCCO2
InChIInChI=1S/C21H19Cl2N3O2/c1-12-11-24-20(17-10-14(22)5-7-18(17)23)26(12)25-21(27)16-6-8-19-15(13(16)2)4-3-9-28-19/h5-8,10-11H,3-4,9H2,1-2H3,(H,25,27)
InChIKeyBXXOLXCZOKSSNG-UHFFFAOYSA-N
MW416.31 g/mol
LogP5.18
Rot. Bonds3

About N-[2-(2,5-dichlorophenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide

N-[2-(2,5-dichlorophenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 10223621) has the molecular formula C21H19Cl2N3O2 and a molecular weight of 416.31 g/mol. Its IUPAC name is N-[2-(2,5-dichlorophenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dichlorophenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID10223621
Molecular FormulaC21H19Cl2N3O2
Molecular Weight416.31 g/mol
Exact Mass415.09
IUPAC NameN-[2-(2,5-dichlorophenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCc1c(C(=O)Nn2c(C)cnc2-c2cc(Cl)ccc2Cl)ccc2c1CCCO2
InChIInChI=1S/C21H19Cl2N3O2/c1-12-11-24-20(17-10-14(22)5-7-18(17)23)26(12)25-21(27)16-6-8-19-15(13(16)2)4-3-9-28-19/h5-8,10-11H,3-4,9H2,1-2H3,(H,25,27)
InChIKeyBXXOLXCZOKSSNG-UHFFFAOYSA-N
XLogP5.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.31
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichlorophenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of N-[2-(2,5-dichlorophenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide (CID 10223621) is N-[2-(2,5-dichlorophenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide.
What is the SMILES notation for N-[2-(2,5-dichlorophenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for N-[2-(2,5-dichlorophenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide is Cc1c(C(=O)Nn2c(C)cnc2-c2cc(Cl)ccc2Cl)ccc2c1CCCO2.
What is the InChIKey of N-[2-(2,5-dichlorophenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is BXXOLXCZOKSSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O2/c1-12-11-24-20(17-10-14(22)5-7-18(17)23)26(12)25-21(27)16-6-8-19-15(13(16)2)4-3-9-28-19/h5-8,10-11H,3-4,9H2,1-2H3,(H,25,27).
What are the key properties of N-[2-(2,5-dichlorophenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
N-[2-(2,5-dichlorophenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 416.31 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichlorophenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 10223621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).