N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide

C26H22N4O3 — CID 60572617

IUPACN-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C26H22N4O3/c31-25(27-14-13-24-29-20-6-2-3-7-21(20)30-24)15-17-9-11-19(12-10-17)28-26(32)23-16-18-5-1-4-8-22(18)33-23/h1-12,16H,13-15H2,(H,27,31)(H,28,32)(H,29,30)
InChIKeyGUUNKRLBAHJDBW-UHFFFAOYSA-N
MW438.49 g/mol
LogP4.46
Rot. Bonds7

About N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide

N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 60572617) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
PubChem CID60572617
Molecular FormulaC26H22N4O3
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC NameN-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C26H22N4O3/c31-25(27-14-13-24-29-20-6-2-3-7-21(20)30-24)15-17-9-11-19(12-10-17)28-26(32)23-16-18-5-1-4-8-22(18)33-23/h1-12,16H,13-15H2,(H,27,31)(H,28,32)(H,29,30)
InChIKeyGUUNKRLBAHJDBW-UHFFFAOYSA-N
XLogP4.46
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide
CID 60550590
N-[4-[2-(3-anilinopropylamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 56586618
methyl 3-[[2-[4-(1-benzofuran-2-carbonylamino)phenyl]acetyl]amino]propanoate
CID 60572698
N-[4-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572471
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-thiophen-3-ylacetamide
CID 43229184
N-[4-[2-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 56559124
N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]phenyl]-1-benzofuran-2-carboxamide
CID 119536846
N-(1H-benzimidazol-2-ylmethyl)-6-hydroxy-1-benzofuran-2-carboxamide
CID 171676060
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide
CID 46290552
N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 54858220
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 5297042
N-[4-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60571787

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide (CID 60572617) is N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide is O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is GUUNKRLBAHJDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3/c31-25(27-14-13-24-29-20-6-2-3-7-21(20)30-24)15-17-9-11-19(12-10-17)28-26(32)23-16-18-5-1-4-8-22(18)33-23/h1-12,16H,13-15H2,(H,27,31)(H,28,32)(H,29,30).
What are the key properties of N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide?
N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 438.49 g/mol, XLogP of 4.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 60572617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).