N,3,6,7-tetramethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide

C18H21N3O2 — CID 24790253

IUPACN,3,6,7-tetramethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)N(C)Cc3nccn3C)oc2c1C
InChIInChI=1S/C18H21N3O2/c1-11-6-7-14-13(3)17(23-16(14)12(11)2)18(22)21(5)10-15-19-8-9-20(15)4/h6-9H,10H2,1-5H3
InChIKeyLOUGJDQPPNZYBQ-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.36
Rot. Bonds3

About N,3,6,7-tetramethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide

N,3,6,7-tetramethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 24790253) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N,3,6,7-tetramethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN,3,6,7-tetramethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID24790253
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN,3,6,7-tetramethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)N(C)Cc3nccn3C)oc2c1C
InChIInChI=1S/C18H21N3O2/c1-11-6-7-14-13(3)17(23-16(14)12(11)2)18(22)21(5)10-15-19-8-9-20(15)4/h6-9H,10H2,1-5H3
InChIKeyLOUGJDQPPNZYBQ-UHFFFAOYSA-N
XLogP3.36
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,3,6,7-tetramethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-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

1H-Imidazole, 2-(2-benzofuranyl)-1-methyl-, monohydrochloride
CID 3073597
1H-Imidazole, 2-(2-benofuranyl)-1-ethyl-, monohydrochloride
CID 3073603
Benzofuran-2-carboxylic acid (3-imidazol-1-yl-propyl)-amide
CID 2952642
N-[3-(1H-imidazol-1-yl)propyl]-3-methyl-1-benzofuran-2-carboxamide
CID 3146651
7-fluoro-N,3-dimethyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 23723707
2-Imidazol-1-ylmethyl-3-methyl-benzofuran-5-carboxylic acid
CID 13663090
4-(Imidazol-1-ylmethyl)-2,3-dimethyl-1-benzofuran-7-carbonitrile
CID 23365315
N-[3-(1H-imidazol-1-yl)propyl]naphtho[2,1-b]furan-2-carboxamide
CID 4555995
2-Imidazol-1-ylmethyl-benzofuran-5-carboxylic acid
CID 13663089
N,3-dimethyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide
CID 23723308
7-chloro-N,3,5-trimethyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 24792993
(3-Methyl-5-propyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 24817845

Frequently Asked Questions

What is the IUPAC name of N,3,6,7-tetramethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N,3,6,7-tetramethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide (CID 24790253) is N,3,6,7-tetramethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N,3,6,7-tetramethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N,3,6,7-tetramethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide is Cc1ccc2c(C)c(C(=O)N(C)Cc3nccn3C)oc2c1C.
What is the InChIKey of N,3,6,7-tetramethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is LOUGJDQPPNZYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11-6-7-14-13(3)17(23-16(14)12(11)2)18(22)21(5)10-15-19-8-9-20(15)4/h6-9H,10H2,1-5H3.
What are the key properties of N,3,6,7-tetramethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
N,3,6,7-tetramethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,6,7-tetramethyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24790253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).