(2S)-N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide

C17H21N3O2 — CID 126426582

IUPAC(2S)-N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCCn1ccnc1CN(C)C(=O)c1ccc2c(c1)C[C@H](C)O2
InChIInChI=1S/C17H21N3O2/c1-4-20-8-7-18-16(20)11-19(3)17(21)13-5-6-15-14(10-13)9-12(2)22-15/h5-8,10,12H,4,9,11H2,1-3H3/t12-/m0/s1
InChIKeyAOIXXVIZJFAELV-LBPRGKRZSA-N
MW299.37 g/mol
LogP2.50
Rot. Bonds4

About (2S)-N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide

(2S)-N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 126426582) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2S)-N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID126426582
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(2S)-N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCCn1ccnc1CN(C)C(=O)c1ccc2c(c1)C[C@H](C)O2
InChIInChI=1S/C17H21N3O2/c1-4-20-8-7-18-16(20)11-19(3)17(21)13-5-6-15-14(10-13)9-12(2)22-15/h5-8,10,12H,4,9,11H2,1-3H3/t12-/m0/s1
InChIKeyAOIXXVIZJFAELV-LBPRGKRZSA-N
XLogP2.50
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-5-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

(2R)-N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 126434473
1-[3-(2-ethylimidazol-1-yl)propyl]-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea
CID 125179364
N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 119069461
(4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297054
(2S)-N,2-dimethyl-N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 126443915
3-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1,2-oxazole-5-carboxamide
CID 92628432
3-(2-amino-6-methylpyrimidin-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylbenzamide
CID 118765988
4-chloro-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-one
CID 86161762
N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 86908163
(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477
N-[(1-ethylimidazol-2-yl)methyl]-4-(3-methoxypyrazin-2-yl)-N-methylbenzamide
CID 119069160
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylnaphthalene-2-carboxamide
CID 38342160

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of (2S)-N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide (CID 126426582) is (2S)-N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for (2S)-N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for (2S)-N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide is CCn1ccnc1CN(C)C(=O)c1ccc2c(c1)C[C@H](C)O2.
What is the InChIKey of (2S)-N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is AOIXXVIZJFAELV-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-4-20-8-7-18-16(20)11-19(3)17(21)13-5-6-15-14(10-13)9-12(2)22-15/h5-8,10,12H,4,9,11H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide?
(2S)-N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 126426582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).