N-[4-(imidazol-1-ylmethyl)phenyl]-7-methoxy-4-(4-methoxyphenyl)-1-benzofuran-2-carboxamide

C27H23N3O4 — CID 46230880

IUPACN-[4-(imidazol-1-ylmethyl)phenyl]-7-methoxy-4-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(-c2ccc(OC)c3oc(C(=O)Nc4ccc(Cn5ccnc5)cc4)cc23)cc1
InChIInChI=1S/C27H23N3O4/c1-32-21-9-5-19(6-10-21)22-11-12-24(33-2)26-23(22)15-25(34-26)27(31)29-20-7-3-18(4-8-20)16-30-14-13-28-17-30/h3-15,17H,16H2,1-2H3,(H,29,31)
InChIKeyFNHXJHAYPYFJPU-UHFFFAOYSA-N
MW453.50 g/mol
LogP5.61
Rot. Bonds7

About N-[4-(imidazol-1-ylmethyl)phenyl]-7-methoxy-4-(4-methoxyphenyl)-1-benzofuran-2-carboxamide

N-[4-(imidazol-1-ylmethyl)phenyl]-7-methoxy-4-(4-methoxyphenyl)-1-benzofuran-2-carboxamide (PubChem CID 46230880) has the molecular formula C27H23N3O4 and a molecular weight of 453.50 g/mol. Its IUPAC name is N-[4-(imidazol-1-ylmethyl)phenyl]-7-methoxy-4-(4-methoxyphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(imidazol-1-ylmethyl)phenyl]-7-methoxy-4-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
PubChem CID46230880
Molecular FormulaC27H23N3O4
Molecular Weight453.50 g/mol
Exact Mass453.17
IUPAC NameN-[4-(imidazol-1-ylmethyl)phenyl]-7-methoxy-4-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(-c2ccc(OC)c3oc(C(=O)Nc4ccc(Cn5ccnc5)cc4)cc23)cc1
InChIInChI=1S/C27H23N3O4/c1-32-21-9-5-19(6-10-21)22-11-12-24(33-2)26-23(22)15-25(34-26)27(31)29-20-7-3-18(4-8-20)16-30-14-13-28-17-30/h3-15,17H,16H2,1-2H3,(H,29,31)
InChIKeyFNHXJHAYPYFJPU-UHFFFAOYSA-N
XLogP5.61
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.50
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922042
5-N-[4-(imidazol-1-ylmethyl)phenyl]-2-N-(4-methoxy-2-methylphenyl)thiophene-2,5-dicarboxamide
CID 58816374
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94867540
1-[4-(imidazol-1-ylmethyl)phenyl]-3-(4-methoxy-1H-pyrazol-5-yl)urea
CID 155962944
N'-[4-(imidazol-1-ylmethyl)benzoyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78876010
methyl 3-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-4-methoxybenzoate
CID 100539709
5-methoxy-2-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide;hydrochloride
CID 171667402
4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 46773577
1-(3-chloro-4-methoxyphenyl)-2-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]guanidine
CID 111090791
4-(imidazol-1-ylmethyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 46776651
7-methoxy-N-phenyl-4-(2-pyridin-4-ylacetyl)-1-benzofuran-2-carboxamide
CID 22733923
4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
CID 94025005

Frequently Asked Questions

What is the IUPAC name of N-[4-(imidazol-1-ylmethyl)phenyl]-7-methoxy-4-(4-methoxyphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(imidazol-1-ylmethyl)phenyl]-7-methoxy-4-(4-methoxyphenyl)-1-benzofuran-2-carboxamide (CID 46230880) is N-[4-(imidazol-1-ylmethyl)phenyl]-7-methoxy-4-(4-methoxyphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(imidazol-1-ylmethyl)phenyl]-7-methoxy-4-(4-methoxyphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(imidazol-1-ylmethyl)phenyl]-7-methoxy-4-(4-methoxyphenyl)-1-benzofuran-2-carboxamide is COc1ccc(-c2ccc(OC)c3oc(C(=O)Nc4ccc(Cn5ccnc5)cc4)cc23)cc1.
What is the InChIKey of N-[4-(imidazol-1-ylmethyl)phenyl]-7-methoxy-4-(4-methoxyphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is FNHXJHAYPYFJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O4/c1-32-21-9-5-19(6-10-21)22-11-12-24(33-2)26-23(22)15-25(34-26)27(31)29-20-7-3-18(4-8-20)16-30-14-13-28-17-30/h3-15,17H,16H2,1-2H3,(H,29,31).
What are the key properties of N-[4-(imidazol-1-ylmethyl)phenyl]-7-methoxy-4-(4-methoxyphenyl)-1-benzofuran-2-carboxamide?
N-[4-(imidazol-1-ylmethyl)phenyl]-7-methoxy-4-(4-methoxyphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(imidazol-1-ylmethyl)phenyl]-7-methoxy-4-(4-methoxyphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46230880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).