N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazole-1-carboxamide

C15H17N3O3 — CID 81252098

IUPACN-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazole-1-carboxamide
SMILESCCOc1cc2c(cc1NC(=O)n1ccnc1)OC(C)C2
InChIInChI=1S/C15H17N3O3/c1-3-20-14-7-11-6-10(2)21-13(11)8-12(14)17-15(19)18-5-4-16-9-18/h4-5,7-10H,3,6H2,1-2H3,(H,17,19)
InChIKeyAEZXTDHAOVHFKR-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.69
Rot. Bonds3

About N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazole-1-carboxamide

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazole-1-carboxamide (PubChem CID 81252098) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazole-1-carboxamide
PubChem CID81252098
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazole-1-carboxamide
SMILESCCOc1cc2c(cc1NC(=O)n1ccnc1)OC(C)C2
InChIInChI=1S/C15H17N3O3/c1-3-20-14-7-11-6-10(2)21-13(11)8-12(14)17-15(19)18-5-4-16-9-18/h4-5,7-10H,3,6H2,1-2H3,(H,17,19)
InChIKeyAEZXTDHAOVHFKR-UHFFFAOYSA-N
XLogP2.69
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide
CID 40855512
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-5-methylpyrazine-2-carboxamide
CID 27901219
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-3-(methylamino)propanamide
CID 79203858
(2R)-2-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylbutanamide
CID 79011910
5-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pentanamide
CID 43347022
3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoylamino]propanoic acid
CID 122075038
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60571185
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2,4-dimethylbenzamide
CID 43034703
4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide
CID 119697390
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119697410
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 42923359
1-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(4-hydroxycyclohexyl)urea
CID 95155893

Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazole-1-carboxamide?
The IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazole-1-carboxamide (CID 81252098) is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazole-1-carboxamide.
What is the SMILES notation for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazole-1-carboxamide?
The canonical SMILES for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazole-1-carboxamide is CCOc1cc2c(cc1NC(=O)n1ccnc1)OC(C)C2.
What is the InChIKey of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazole-1-carboxamide?
The InChIKey is AEZXTDHAOVHFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-20-14-7-11-6-10(2)21-13(11)8-12(14)17-15(19)18-5-4-16-9-18/h4-5,7-10H,3,6H2,1-2H3,(H,17,19).
What are the key properties of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazole-1-carboxamide?
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazole-1-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 2.69, 3 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)imidazole-1-carboxamide is sourced from PubChem (CID 81252098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).