2-[[4-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide

C26H22N4O4 — CID 138811013

IUPAC2-[[4-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide
SMILESNC(=O)c1cccc2c(O)c(Cc3ccc(C(=O)NCCc4nc5ccccc5[nH]4)cc3)oc12
InChIInChI=1S/C26H22N4O4/c27-25(32)18-5-3-4-17-23(31)21(34-24(17)18)14-15-8-10-16(11-9-15)26(33)28-13-12-22-29-19-6-1-2-7-20(19)30-22/h1-11,31H,12-14H2,(H2,27,32)(H,28,33)(H,29,30)
InChIKeyNZZABYYASSMYBF-UHFFFAOYSA-N
MW454.49 g/mol
LogP3.68
Rot. Bonds7

About 2-[[4-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide

2-[[4-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide (PubChem CID 138811013) has the molecular formula C26H22N4O4 and a molecular weight of 454.49 g/mol. Its IUPAC name is 2-[[4-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name2-[[4-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide
PubChem CID138811013
Molecular FormulaC26H22N4O4
Molecular Weight454.49 g/mol
Exact Mass454.16
IUPAC Name2-[[4-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide
SMILESNC(=O)c1cccc2c(O)c(Cc3ccc(C(=O)NCCc4nc5ccccc5[nH]4)cc3)oc12
InChIInChI=1S/C26H22N4O4/c27-25(32)18-5-3-4-17-23(31)21(34-24(17)18)14-15-8-10-16(11-9-15)26(33)28-13-12-22-29-19-6-1-2-7-20(19)30-22/h1-11,31H,12-14H2,(H2,27,32)(H,28,33)(H,29,30)
InChIKeyNZZABYYASSMYBF-UHFFFAOYSA-N
XLogP3.68
TPSA134.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 53.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
4-(acetamidomethyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 17394585
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18277864
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897
N-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide
CID 59018404
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)benzamide
CID 27161540
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide
CID 60550590
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 30209277
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide
CID 4917285
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 4825744
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide?
The IUPAC name of 2-[[4-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide (CID 138811013) is 2-[[4-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide.
What is the SMILES notation for 2-[[4-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide?
The canonical SMILES for 2-[[4-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide is NC(=O)c1cccc2c(O)c(Cc3ccc(C(=O)NCCc4nc5ccccc5[nH]4)cc3)oc12.
What is the InChIKey of 2-[[4-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide?
The InChIKey is NZZABYYASSMYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O4/c27-25(32)18-5-3-4-17-23(31)21(34-24(17)18)14-15-8-10-16(11-9-15)26(33)28-13-12-22-29-19-6-1-2-7-20(19)30-22/h1-11,31H,12-14H2,(H2,27,32)(H,28,33)(H,29,30).
What are the key properties of 2-[[4-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide?
2-[[4-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide has a molecular weight of 454.49 g/mol, XLogP of 3.68, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]methyl]-3-hydroxy-1-benzofuran-7-carboxamide is sourced from PubChem (CID 138811013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).