N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide

C26H21N3O3 — CID 4546936

IUPACN-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2c(c1)ncn2-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H21N3O3/c30-26(27-16-23-7-4-14-31-23)20-8-13-25-24(15-20)28-18-29(25)21-9-11-22(12-10-21)32-17-19-5-2-1-3-6-19/h1-15,18H,16-17H2,(H,27,30)
InChIKeyZNCBPQFVDVWFSP-UHFFFAOYSA-N
MW423.47 g/mol
LogP5.13
Rot. Bonds7

About N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide

N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide (PubChem CID 4546936) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide
PubChem CID4546936
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC NameN-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2c(c1)ncn2-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H21N3O3/c30-26(27-16-23-7-4-14-31-23)20-8-13-25-24(15-20)28-18-29(25)21-9-11-22(12-10-21)32-17-19-5-2-1-3-6-19/h1-15,18H,16-17H2,(H,27,30)
InChIKeyZNCBPQFVDVWFSP-UHFFFAOYSA-N
XLogP5.13
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 121080191
1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
CID 4525945
1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 11751247
N-(furan-2-ylmethyl)-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide
CID 109169297
N-(furan-2-ylmethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide
CID 109155454
1-[4-[3-(4-methoxyphenoxy)propoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 67012284
N-(pyridin-3-ylmethyl)-1-[4-[2-[2-(trifluoromethoxy)phenoxy]ethoxy]phenyl]benzimidazole-5-carboxamide
CID 67011613
N-(furan-2-ylmethyl)-3-[[3-(hydroxymethyl)phenoxy]methyl]benzamide
CID 111770257
N-(furan-2-ylmethyl)-4-phenylmethoxynaphthalene-2-carboxamide
CID 162674987
N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111173
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
1-[3-(3-phenylpropoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 11259761

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide (CID 4546936) is N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide is O=C(NCc1ccco1)c1ccc2c(c1)ncn2-c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide?
The InChIKey is ZNCBPQFVDVWFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3/c30-26(27-16-23-7-4-14-31-23)20-8-13-25-24(15-20)28-18-29(25)21-9-11-22(12-10-21)32-17-19-5-2-1-3-6-19/h1-15,18H,16-17H2,(H,27,30).
What are the key properties of N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide?
N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 4546936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).