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

C21H23N3O3 — CID 94667060

IUPACN-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide
SMILESCc1c[nH]c(=O)n1-c1ccc(C(=O)N(C)Cc2ccc([C@H]3C[C@@H]3C)o2)cc1
InChIInChI=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
InChIKeyLBSUVFNEXSIQND-UGSOOPFHSA-N
MW365.43 g/mol
LogP3.46
Rot. Bonds5

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

N-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide (PubChem CID 94667060) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide
PubChem CID94667060
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide
SMILESCc1c[nH]c(=O)n1-c1ccc(C(=O)N(C)Cc2ccc([C@H]3C[C@@H]3C)o2)cc1
InChIInChI=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
InChIKeyLBSUVFNEXSIQND-UGSOOPFHSA-N
XLogP3.46
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-[(1S,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-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide (CID 94667060) is N-methyl-N-[[5-[(1S,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-[(1S,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-[(1S,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-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide?
The InChIKey is LBSUVFNEXSIQND-UGSOOPFHSA-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-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide?
N-methyl-N-[[5-[(1S,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-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide is sourced from PubChem (CID 94667060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).