1-N-[(5-methylfuran-2-yl)methyl]-2-N-(1-methyl-5-phenylimidazol-2-yl)benzene-1,2-dicarboxamide

C24H22N4O3 — CID 3594007

IUPAC1-N-[(5-methylfuran-2-yl)methyl]-2-N-(1-methyl-5-phenylimidazol-2-yl)benzene-1,2-dicarboxamide
SMILESCc1ccc(CNC(=O)c2ccccc2C(=O)Nc2ncc(-c3ccccc3)n2C)o1
InChIInChI=1S/C24H22N4O3/c1-16-12-13-18(31-16)14-25-22(29)19-10-6-7-11-20(19)23(30)27-24-26-15-21(28(24)2)17-8-4-3-5-9-17/h3-13,15H,14H2,1-2H3,(H,25,29)(H,26,27,30)
InChIKeyAPOHQGDIJJEUHK-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.17
Rot. Bonds6

About 1-N-[(5-methylfuran-2-yl)methyl]-2-N-(1-methyl-5-phenylimidazol-2-yl)benzene-1,2-dicarboxamide

1-N-[(5-methylfuran-2-yl)methyl]-2-N-(1-methyl-5-phenylimidazol-2-yl)benzene-1,2-dicarboxamide (PubChem CID 3594007) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 1-N-[(5-methylfuran-2-yl)methyl]-2-N-(1-methyl-5-phenylimidazol-2-yl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[(5-methylfuran-2-yl)methyl]-2-N-(1-methyl-5-phenylimidazol-2-yl)benzene-1,2-dicarboxamide
PubChem CID3594007
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name1-N-[(5-methylfuran-2-yl)methyl]-2-N-(1-methyl-5-phenylimidazol-2-yl)benzene-1,2-dicarboxamide
SMILESCc1ccc(CNC(=O)c2ccccc2C(=O)Nc2ncc(-c3ccccc3)n2C)o1
InChIInChI=1S/C24H22N4O3/c1-16-12-13-18(31-16)14-25-22(29)19-10-6-7-11-20(19)23(30)27-24-26-15-21(28(24)2)17-8-4-3-5-9-17/h3-13,15H,14H2,1-2H3,(H,25,29)(H,26,27,30)
InChIKeyAPOHQGDIJJEUHK-UHFFFAOYSA-N
XLogP4.17
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731650
5-(3-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]imidazol-2-amine
CID 45147023
ethane;3-methyl-N-(1-methyl-5-phenylimidazol-2-yl)benzamide
CID 145409289
2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731629
N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide
CID 1096852
2-(1,3-dioxoisoindol-2-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 46862747
1-(2,5-dimethylphenyl)-3-(1-methyl-5-phenylimidazol-2-yl)urea
CID 22577917
N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 22612035
3-[1-(2-methoxyethyl)imidazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]indolizine-1-carboxamide
CID 97446920
2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 131933266
6-(methylamino)-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 62523594
5-amino-2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 114045976

Frequently Asked Questions

What is the IUPAC name of 1-N-[(5-methylfuran-2-yl)methyl]-2-N-(1-methyl-5-phenylimidazol-2-yl)benzene-1,2-dicarboxamide?
The IUPAC name of 1-N-[(5-methylfuran-2-yl)methyl]-2-N-(1-methyl-5-phenylimidazol-2-yl)benzene-1,2-dicarboxamide (CID 3594007) is 1-N-[(5-methylfuran-2-yl)methyl]-2-N-(1-methyl-5-phenylimidazol-2-yl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[(5-methylfuran-2-yl)methyl]-2-N-(1-methyl-5-phenylimidazol-2-yl)benzene-1,2-dicarboxamide?
The canonical SMILES for 1-N-[(5-methylfuran-2-yl)methyl]-2-N-(1-methyl-5-phenylimidazol-2-yl)benzene-1,2-dicarboxamide is Cc1ccc(CNC(=O)c2ccccc2C(=O)Nc2ncc(-c3ccccc3)n2C)o1.
What is the InChIKey of 1-N-[(5-methylfuran-2-yl)methyl]-2-N-(1-methyl-5-phenylimidazol-2-yl)benzene-1,2-dicarboxamide?
The InChIKey is APOHQGDIJJEUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-16-12-13-18(31-16)14-25-22(29)19-10-6-7-11-20(19)23(30)27-24-26-15-21(28(24)2)17-8-4-3-5-9-17/h3-13,15H,14H2,1-2H3,(H,25,29)(H,26,27,30).
What are the key properties of 1-N-[(5-methylfuran-2-yl)methyl]-2-N-(1-methyl-5-phenylimidazol-2-yl)benzene-1,2-dicarboxamide?
1-N-[(5-methylfuran-2-yl)methyl]-2-N-(1-methyl-5-phenylimidazol-2-yl)benzene-1,2-dicarboxamide has a molecular weight of 414.47 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(5-methylfuran-2-yl)methyl]-2-N-(1-methyl-5-phenylimidazol-2-yl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 3594007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).