N-[1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide

C23H18N4O4 — CID 167812531

IUPACN-[1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide
SMILESO=C(NC(Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1cccc2[nH]c(=O)oc12
InChIInChI=1S/C23H18N4O4/c28-14-10-8-13(9-11-14)12-19(21-24-16-5-1-2-6-17(16)25-21)26-22(29)15-4-3-7-18-20(15)31-23(30)27-18/h1-11,19,28H,12H2,(H,24,25)(H,26,29)(H,27,30)
InChIKeySVIAJIKVAZXISD-UHFFFAOYSA-N
MW414.42 g/mol
LogP3.42
Rot. Bonds5

About N-[1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide

N-[1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide (PubChem CID 167812531) has the molecular formula C23H18N4O4 and a molecular weight of 414.42 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide
PubChem CID167812531
Molecular FormulaC23H18N4O4
Molecular Weight414.42 g/mol
Exact Mass414.13
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide
SMILESO=C(NC(Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1cccc2[nH]c(=O)oc12
InChIInChI=1S/C23H18N4O4/c28-14-10-8-13(9-11-14)12-19(21-24-16-5-1-2-6-17(16)25-21)26-22(29)15-4-3-7-18-20(15)31-23(30)27-18/h1-11,19,28H,12H2,(H,24,25)(H,26,29)(H,27,30)
InChIKeySVIAJIKVAZXISD-UHFFFAOYSA-N
XLogP3.42
TPSA124.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 53.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-methylpyrazole-3-carboxamide
CID 97211410
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 4969011
5-[[1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]carbamoyl]-1H-pyrrole-3-sulfonyl fluoride
CID 166407207
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 3653845
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-chloro-4,5-difluorobenzamide
CID 2330762
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(4-bromophenyl)acetamide
CID 4877413
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 51963622
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-methylpyridine-3-carboxamide
CID 46563495
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(methylsulfonylmethyl)benzamide
CID 46561468
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-nitrobenzamide
CID 2109149
N-[(1S)-1-(1H-benzimidazol-2-yl)butyl]-2-fluorobenzamide
CID 948873
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-hydroxy-4-nitrobenzamide
CID 18107744

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide (CID 167812531) is N-[1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide is O=C(NC(Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1cccc2[nH]c(=O)oc12.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide?
The InChIKey is SVIAJIKVAZXISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O4/c28-14-10-8-13(9-11-14)12-19(21-24-16-5-1-2-6-17(16)25-21)26-22(29)15-4-3-7-18-20(15)31-23(30)27-18/h1-11,19,28H,12H2,(H,24,25)(H,26,29)(H,27,30).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide?
N-[1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide has a molecular weight of 414.42 g/mol, XLogP of 3.42, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide is sourced from PubChem (CID 167812531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).