N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-phenylimidazole-4-carboxamide

C22H23N3O3 — CID 18118388

IUPACN-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-phenylimidazole-4-carboxamide
SMILESCCOc1cc2c(cc1CNC(=O)c1cncn1-c1ccccc1)OC(C)C2
InChIInChI=1S/C22H23N3O3/c1-3-27-20-10-16-9-15(2)28-21(16)11-17(20)12-24-22(26)19-13-23-14-25(19)18-7-5-4-6-8-18/h4-8,10-11,13-15H,3,9,12H2,1-2H3,(H,24,26)
InChIKeyLQBLOSPIGCXFEJ-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.52
Rot. Bonds6

About N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-phenylimidazole-4-carboxamide

N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-phenylimidazole-4-carboxamide (PubChem CID 18118388) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-phenylimidazole-4-carboxamide
PubChem CID18118388
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-phenylimidazole-4-carboxamide
SMILESCCOc1cc2c(cc1CNC(=O)c1cncn1-c1ccccc1)OC(C)C2
InChIInChI=1S/C22H23N3O3/c1-3-27-20-10-16-9-15(2)28-21(16)11-17(20)12-24-22(26)19-13-23-14-25(19)18-7-5-4-6-8-18/h4-8,10-11,13-15H,3,9,12H2,1-2H3,(H,24,26)
InChIKeyLQBLOSPIGCXFEJ-UHFFFAOYSA-N
XLogP3.52
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-phenylpyrazole-4-carboxamide
CID 9401671
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112798267
5-bromo-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyridine-3-carboxamide
CID 9398342
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-methylbenzamide
CID 7670514
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 39966609
1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-methyl-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111381836
N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide
CID 9398128
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1H-indazole-3-carboxamide
CID 9268865
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1H-indazole-3-carboxamide
CID 9268869
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 9399647
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 9399648
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2H-benzotriazole-5-carboxamide
CID 18126153

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-phenylimidazole-4-carboxamide (CID 18118388) is N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-phenylimidazole-4-carboxamide is CCOc1cc2c(cc1CNC(=O)c1cncn1-c1ccccc1)OC(C)C2.
What is the InChIKey of N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-phenylimidazole-4-carboxamide?
The InChIKey is LQBLOSPIGCXFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-3-27-20-10-16-9-15(2)28-21(16)11-17(20)12-24-22(26)19-13-23-14-25(19)18-7-5-4-6-8-18/h4-8,10-11,13-15H,3,9,12H2,1-2H3,(H,24,26).
What are the key properties of N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-phenylimidazole-4-carboxamide?
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-phenylimidazole-4-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 18118388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).