N-[1-[1-[2-oxo-2-(2-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide

C26H26N4O2 — CID 4001792

IUPACN-[1-[1-[2-oxo-2-(2-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)NCCc1ccccc1
InChIInChI=1S/C26H26N4O2/c1-19(28-26(32)21-12-6-3-7-13-21)25-29-22-14-8-9-15-23(22)30(25)18-24(31)27-17-16-20-10-4-2-5-11-20/h2-15,19H,16-18H2,1H3,(H,27,31)(H,28,32)
InChIKeyKTTBLFQMPYZYMM-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.89
Rot. Bonds8

About N-[1-[1-[2-oxo-2-(2-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide

N-[1-[1-[2-oxo-2-(2-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 4001792) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[1-[1-[2-oxo-2-(2-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[1-[1-[2-oxo-2-(2-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID4001792
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-[1-[1-[2-oxo-2-(2-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)NCCc1ccccc1
InChIInChI=1S/C26H26N4O2/c1-19(28-26(32)21-12-6-3-7-13-21)25-29-22-14-8-9-15-23(22)30(25)18-24(31)27-17-16-20-10-4-2-5-11-20/h2-15,19H,16-18H2,1H3,(H,27,31)(H,28,32)
InChIKeyKTTBLFQMPYZYMM-UHFFFAOYSA-N
XLogP3.89
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 4030007
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029637
N-[1-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide
CID 3949916
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
CID 4753696
N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 7007721
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 5400747
N-[1-(1-benzylbenzimidazol-2-yl)ethyl]-4-bromobenzamide
CID 17009321
N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965517
N-[1-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029665
4-methyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967208
N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967343
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967444

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-oxo-2-(2-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[1-[1-[2-oxo-2-(2-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide (CID 4001792) is N-[1-[1-[2-oxo-2-(2-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[1-[1-[2-oxo-2-(2-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[1-[1-[2-oxo-2-(2-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide is CC(NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)NCCc1ccccc1.
What is the InChIKey of N-[1-[1-[2-oxo-2-(2-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is KTTBLFQMPYZYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-19(28-26(32)21-12-6-3-7-13-21)25-29-22-14-8-9-15-23(22)30(25)18-24(31)27-17-16-20-10-4-2-5-11-20/h2-15,19H,16-18H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N-[1-[1-[2-oxo-2-(2-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide?
N-[1-[1-[2-oxo-2-(2-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 426.52 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-oxo-2-(2-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 4001792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).