N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide

C17H17N3O3 — CID 51269162

IUPACN-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide
SMILESCOc1cccc(C(NC(=O)c2ccco2)c2nccn2C)c1
InChIInChI=1S/C17H17N3O3/c1-20-9-8-18-16(20)15(12-5-3-6-13(11-12)22-2)19-17(21)14-7-4-10-23-14/h3-11,15H,1-2H3,(H,19,21)
InChIKeyBPOWYAAVMZPPEZ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.54
Rot. Bonds5

About N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide

N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide (PubChem CID 51269162) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide
PubChem CID51269162
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide
SMILESCOc1cccc(C(NC(=O)c2ccco2)c2nccn2C)c1
InChIInChI=1S/C17H17N3O3/c1-20-9-8-18-16(20)15(12-5-3-6-13(11-12)22-2)19-17(21)14-7-4-10-23-14/h3-11,15H,1-2H3,(H,19,21)
InChIKeyBPOWYAAVMZPPEZ-UHFFFAOYSA-N
XLogP2.54
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
7-bromo-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 55685720
N-[3-[[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 18151120
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(methylsulfinylmethyl)benzamide
CID 134024613
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 55453555
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylcyclopropane-1-carboxamide
CID 51269204
3-acetamido-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923239
1-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943311
2,4-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269170
(1S)-N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 94193703
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-nitrobenzamide
CID 51269163

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide (CID 51269162) is N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide is COc1cccc(C(NC(=O)c2ccco2)c2nccn2C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide?
The InChIKey is BPOWYAAVMZPPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-20-9-8-18-16(20)15(12-5-3-6-13(11-12)22-2)19-17(21)14-7-4-10-23-14/h3-11,15H,1-2H3,(H,19,21).
What are the key properties of N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide?
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 51269162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).