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

C17H19N3O2 — CID 72845547

IUPAC2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1-benzofuran-5-carboxamide
SMILESCCC(NC(=O)c1ccc2oc(C)cc2c1)c1ncc(C)[nH]1
InChIInChI=1S/C17H19N3O2/c1-4-14(16-18-9-10(2)19-16)20-17(21)12-5-6-15-13(8-12)7-11(3)22-15/h5-9,14H,4H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyGXSBXZAVNICIIP-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.65
Rot. Bonds4

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

2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1-benzofuran-5-carboxamide (PubChem CID 72845547) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1-benzofuran-5-carboxamide
PubChem CID72845547
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1-benzofuran-5-carboxamide
SMILESCCC(NC(=O)c1ccc2oc(C)cc2c1)c1ncc(C)[nH]1
InChIInChI=1S/C17H19N3O2/c1-4-14(16-18-9-10(2)19-16)20-17(21)12-5-6-15-13(8-12)7-11(3)22-15/h5-9,14H,4H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyGXSBXZAVNICIIP-UHFFFAOYSA-N
XLogP3.65
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-4-pyrrolidin-1-ylbenzamide
CID 99972095
3-(2-aminoethoxy)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]benzamide
CID 126431315
1-(difluoromethyl)-5-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]pyrrole-2-carboxamide
CID 126432423
N-[1-(dimethylamino)propan-2-yl]-2-methyl-1-benzofuran-5-carboxamide
CID 74236489
N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]thiophene-2-carboxamide
CID 99933460
3,5-dimethyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1,2-oxazole-4-carboxamide
CID 99974460
3-fluoro-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-5-(6-oxo-1H-pyridin-2-yl)benzamide
CID 170511574
2-methyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-benzofuran-5-carboxamide
CID 46963211
N-(2-acetamidoethyl)-2-methyl-1-benzofuran-5-carboxamide
CID 72924667
N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-3-phenylprop-2-enamide
CID 171135015
4-hydroxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide
CID 99973871
4-hydroxy-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide
CID 77084654

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1-benzofuran-5-carboxamide?
The IUPAC name of 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1-benzofuran-5-carboxamide (CID 72845547) is 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1-benzofuran-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1-benzofuran-5-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1-benzofuran-5-carboxamide is CCC(NC(=O)c1ccc2oc(C)cc2c1)c1ncc(C)[nH]1.
What is the InChIKey of 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1-benzofuran-5-carboxamide?
The InChIKey is GXSBXZAVNICIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-4-14(16-18-9-10(2)19-16)20-17(21)12-5-6-15-13(8-12)7-11(3)22-15/h5-9,14H,4H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1-benzofuran-5-carboxamide?
2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1-benzofuran-5-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1-benzofuran-5-carboxamide is sourced from PubChem (CID 72845547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).