N-[(1R)-1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

C24H24N4O3 — CID 42100872

IUPACN-[(1R)-1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCCN(C(=O)Cn1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C24H24N4O3/c1-3-27(18-10-5-4-6-11-18)22(29)16-28-20-13-8-7-12-19(20)26-23(28)17(2)25-24(30)21-14-9-15-31-21/h4-15,17H,3,16H2,1-2H3,(H,25,30)/t17-/m1/s1
InChIKeyAKJNSKCNKYMOCJ-QGZVFWFLSA-N
MW416.48 g/mol
LogP4.17
Rot. Bonds7

About N-[(1R)-1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

N-[(1R)-1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (PubChem CID 42100872) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[(1R)-1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
PubChem CID42100872
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[(1R)-1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCCN(C(=O)Cn1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C24H24N4O3/c1-3-27(18-10-5-4-6-11-18)22(29)16-28-20-13-8-7-12-19(20)26-23(28)17(2)25-24(30)21-14-9-15-31-21/h4-15,17H,3,16H2,1-2H3,(H,25,30)/t17-/m1/s1
InChIKeyAKJNSKCNKYMOCJ-QGZVFWFLSA-N
XLogP4.17
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(1S)-1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 26864483
N-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967438
N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 17030166
N-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16968068
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
CID 25345224
N-[(1S)-1-(1-hexylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
CID 7082664
N-[1-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973496
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619696
N-[(1R)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100742
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619750
N-[1-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 17030171
N-[(1S)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100737

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[(1R)-1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (CID 42100872) is N-[(1R)-1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is CCN(C(=O)Cn1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21)c1ccccc1.
What is the InChIKey of N-[(1R)-1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The InChIKey is AKJNSKCNKYMOCJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-3-27(18-10-5-4-6-11-18)22(29)16-28-20-13-8-7-12-19(20)26-23(28)17(2)25-24(30)21-14-9-15-31-21/h4-15,17H,3,16H2,1-2H3,(H,25,30)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
N-[(1R)-1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 42100872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).