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

C23H25N3O2 — CID 10199494

IUPACN-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCc1ccc(C)c(-c2ncc(C)n2NC(=O)c2ccc3c(c2C)CCCO3)c1
InChIInChI=1S/C23H25N3O2/c1-14-7-8-15(2)20(12-14)22-24-13-16(3)26(22)25-23(27)19-9-10-21-18(17(19)4)6-5-11-28-21/h7-10,12-13H,5-6,11H2,1-4H3,(H,25,27)
InChIKeyXJMNEKQMFCEUDA-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.49
Rot. Bonds3

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

N-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 10199494) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID10199494
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCc1ccc(C)c(-c2ncc(C)n2NC(=O)c2ccc3c(c2C)CCCO3)c1
InChIInChI=1S/C23H25N3O2/c1-14-7-8-15(2)20(12-14)22-24-13-16(3)26(22)25-23(27)19-9-10-21-18(17(19)4)6-5-11-28-21/h7-10,12-13H,5-6,11H2,1-4H3,(H,25,27)
InChIKeyXJMNEKQMFCEUDA-UHFFFAOYSA-N
XLogP4.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.49
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-dimethylphenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of N-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide (CID 10199494) is N-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide is Cc1ccc(C)c(-c2ncc(C)n2NC(=O)c2ccc3c(c2C)CCCO3)c1.
What is the InChIKey of N-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is XJMNEKQMFCEUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-14-7-8-15(2)20(12-14)22-24-13-16(3)26(22)25-23(27)19-9-10-21-18(17(19)4)6-5-11-28-21/h7-10,12-13H,5-6,11H2,1-4H3,(H,25,27).
What are the key properties of N-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
N-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.49, 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-dimethylphenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 10199494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).