N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(N-ethylanilino)acetamide

C25H26N4O — CID 55940334

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(N-ethylanilino)acetamide
SMILESCCN(CC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C25H26N4O/c1-2-29(20-13-7-4-8-14-20)18-24(30)26-23(17-19-11-5-3-6-12-19)25-27-21-15-9-10-16-22(21)28-25/h3-16,23H,2,17-18H2,1H3,(H,26,30)(H,27,28)/t23-/m0/s1
InChIKeyCNHCHFRGCZCRLP-QHCPKHFHSA-N
MW398.51 g/mol
LogP4.49
Rot. Bonds8

About N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(N-ethylanilino)acetamide

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(N-ethylanilino)acetamide (PubChem CID 55940334) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(N-ethylanilino)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(N-ethylanilino)acetamide
PubChem CID55940334
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(N-ethylanilino)acetamide
SMILESCCN(CC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C25H26N4O/c1-2-29(20-13-7-4-8-14-20)18-24(30)26-23(17-19-11-5-3-6-12-19)25-27-21-15-9-10-16-22(21)28-25/h3-16,23H,2,17-18H2,1H3,(H,26,30)(H,27,28)/t23-/m0/s1
InChIKeyCNHCHFRGCZCRLP-QHCPKHFHSA-N
XLogP4.49
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-methylsulfanylpropanamide
CID 40633884
N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 40633986
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(4-bromophenyl)acetamide
CID 4877413
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 2079990
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 40633985
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55940255
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 51425632
1-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-phenylthiourea
CID 118715531
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-thiophen-2-ylpropanamide
CID 9116698
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 91821578
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-methylpyridine-3-carboxamide
CID 46563495
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 3653845

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(N-ethylanilino)acetamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(N-ethylanilino)acetamide (CID 55940334) is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(N-ethylanilino)acetamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(N-ethylanilino)acetamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(N-ethylanilino)acetamide is CCN(CC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(N-ethylanilino)acetamide?
The InChIKey is CNHCHFRGCZCRLP-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H26N4O/c1-2-29(20-13-7-4-8-14-20)18-24(30)26-23(17-19-11-5-3-6-12-19)25-27-21-15-9-10-16-22(21)28-25/h3-16,23H,2,17-18H2,1H3,(H,26,30)(H,27,28)/t23-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(N-ethylanilino)acetamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(N-ethylanilino)acetamide has a molecular weight of 398.51 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(N-ethylanilino)acetamide is sourced from PubChem (CID 55940334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).