N-[(1-benzylimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide

C22H21N3O2 — CID 72938444

IUPACN-[(1-benzylimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide
SMILESCc1cc2cc(C(=O)N(C)Cc3nccn3Cc3ccccc3)ccc2o1
InChIInChI=1S/C22H21N3O2/c1-16-12-19-13-18(8-9-20(19)27-16)22(26)24(2)15-21-23-10-11-25(21)14-17-6-4-3-5-7-17/h3-13H,14-15H2,1-2H3
InChIKeyIRSSYWWVMXUXCX-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.26
Rot. Bonds5

About N-[(1-benzylimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide

N-[(1-benzylimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide (PubChem CID 72938444) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide
PubChem CID72938444
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide
SMILESCc1cc2cc(C(=O)N(C)Cc3nccn3Cc3ccccc3)ccc2o1
InChIInChI=1S/C22H21N3O2/c1-16-12-19-13-18(8-9-20(19)27-16)22(26)24(2)15-21-23-10-11-25(21)14-17-6-4-3-5-7-17/h3-13H,14-15H2,1-2H3
InChIKeyIRSSYWWVMXUXCX-UHFFFAOYSA-N
XLogP4.26
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide
CID 50972163
N-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N,6-dimethylbenzamide
CID 131901666
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide
CID 90651517
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide
CID 72872063
N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide
CID 110387920
2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide
CID 54563123
N-methyl-4-phenylmethoxy-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]benzamide
CID 56509317
N-[(1-benzylimidazol-2-yl)methyl]-N,4-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172664117
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide
CID 42819011
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylnaphthalene-2-carboxamide
CID 38342160
N-[(1-benzylimidazol-2-yl)methyl]-5-fluoro-N-methyl-1,3-benzoxazol-2-amine
CID 133324481
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122566922

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide (CID 72938444) is N-[(1-benzylimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide is Cc1cc2cc(C(=O)N(C)Cc3nccn3Cc3ccccc3)ccc2o1.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide?
The InChIKey is IRSSYWWVMXUXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-16-12-19-13-18(8-9-20(19)27-16)22(26)24(2)15-21-23-10-11-25(21)14-17-6-4-3-5-7-17/h3-13H,14-15H2,1-2H3.
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide?
N-[(1-benzylimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide is sourced from PubChem (CID 72938444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).