N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(4-phenylbutan-2-yl)-1-benzofuran-2-carboxamide

C24H25N3O2 — CID 3308174

IUPACN-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(4-phenylbutan-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1[nH]cnc1CN(C(=O)c1cc2ccccc2o1)C(C)CCc1ccccc1
InChIInChI=1S/C24H25N3O2/c1-17(12-13-19-8-4-3-5-9-19)27(15-21-18(2)25-16-26-21)24(28)23-14-20-10-6-7-11-22(20)29-23/h3-11,14,16-17H,12-13,15H2,1-2H3,(H,25,26)
InChIKeyJQTHGZONMYQONX-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.13
Rot. Bonds7

About N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(4-phenylbutan-2-yl)-1-benzofuran-2-carboxamide

N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(4-phenylbutan-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 3308174) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(4-phenylbutan-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(4-phenylbutan-2-yl)-1-benzofuran-2-carboxamide
PubChem CID3308174
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(4-phenylbutan-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1[nH]cnc1CN(C(=O)c1cc2ccccc2o1)C(C)CCc1ccccc1
InChIInChI=1S/C24H25N3O2/c1-17(12-13-19-8-4-3-5-9-19)27(15-21-18(2)25-16-26-21)24(28)23-14-20-10-6-7-11-22(20)29-23/h3-11,14,16-17H,12-13,15H2,1-2H3,(H,25,26)
InChIKeyJQTHGZONMYQONX-UHFFFAOYSA-N
XLogP5.13
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(4-phenylbutan-2-yl)-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

1-(1-benzofuran-2-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one;but-2-enedioic acid
CID 67900227
N-benzyl-N-ethyl-1-benzofuran-2-carboxamide
CID 110698803
N-(2-bromoethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 80666605
N-(3-hydroxypropyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 54916950
N-(2-chloroethyl)-N-pentan-3-yl-1-benzofuran-2-carboxamide
CID 63396036
N',N'-dibenzyl-1-benzofuran-2-carbohydrazide
CID 9293807
4-[1-benzofuran-2-carbonyl(methyl)amino]butanoic acid
CID 43235400
[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 1-benzofuran-2-carboxylate
CID 7210580
N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 42796385
N-(1H-imidazol-2-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 42786814
N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)quinoxaline-6-carboxamide
CID 42796388
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 8698129

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(4-phenylbutan-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(4-phenylbutan-2-yl)-1-benzofuran-2-carboxamide (CID 3308174) is N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(4-phenylbutan-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(4-phenylbutan-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(4-phenylbutan-2-yl)-1-benzofuran-2-carboxamide is Cc1[nH]cnc1CN(C(=O)c1cc2ccccc2o1)C(C)CCc1ccccc1.
What is the InChIKey of N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(4-phenylbutan-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is JQTHGZONMYQONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-17(12-13-19-8-4-3-5-9-19)27(15-21-18(2)25-16-26-21)24(28)23-14-20-10-6-7-11-22(20)29-23/h3-11,14,16-17H,12-13,15H2,1-2H3,(H,25,26).
What are the key properties of N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(4-phenylbutan-2-yl)-1-benzofuran-2-carboxamide?
N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(4-phenylbutan-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(4-phenylbutan-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3308174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).