N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide

C21H23N3O3 — CID 94667059

About N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide

N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide (PubChem CID 94667059) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide.

Molecular Properties

• Compound Name: N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide
• PubChem CID: 94667059
• Molecular Formula: C21H23N3O3
• Molecular Weight: 365.43 g/mol
• Exact Mass: 365.17
• IUPAC Name: N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide
• SMILES: Cc1c[nH]c(=O)n1-c1ccc(C(=O)N(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1
• InChI: InChI=1S/C21H23N3O3/c1-13-10-18(13)19-9-8-17(27-19)12-23(3)20(25)15-4-6-16(7-5-15)24-14(2)11-22-21(24)26/h4-9,11,13,18H,10,12H2,1-3H3,(H,22,26)/t13-,18+/m0/s1
• InChIKey: LBSUVFNEXSIQND-SCLBCKFNSA-N
• XLogP: 3.46
• TPSA: 71.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.43
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide?

The IUPAC name of N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide (CID 94667059) is N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide.

What is the SMILES notation for N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide?

The canonical SMILES for N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide is Cc1c[nH]c(=O)n1-c1ccc(C(=O)N(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1.

What is the InChIKey of N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide?

The InChIKey is LBSUVFNEXSIQND-SCLBCKFNSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-10-18(13)19-9-8-17(27-19)12-23(3)20(25)15-4-6-16(7-5-15)24-14(2)11-22-21(24)26/h4-9,11,13,18H,10,12H2,1-3H3,(H,22,26)/t13-,18+/m0/s1.

What are the key properties of N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide?

N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide has a molecular weight of 365.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide is sourced from PubChem (CID 94667059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).