N-[(1R)-1-[1-[2-(4-cyanoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide

C25H21N5O2 — CID 41102600

IUPACN-[(1R)-1-[1-[2-(4-cyanoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C25H21N5O2/c1-17(27-25(32)19-7-3-2-4-8-19)24-29-21-9-5-6-10-22(21)30(24)16-23(31)28-20-13-11-18(15-26)12-14-20/h2-14,17H,16H2,1H3,(H,27,32)(H,28,31)/t17-/m1/s1
InChIKeyQPJJSHOTXUSQFG-QGZVFWFLSA-N
MW423.48 g/mol
LogP4.04
Rot. Bonds6

About N-[(1R)-1-[1-[2-(4-cyanoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide

N-[(1R)-1-[1-[2-(4-cyanoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 41102600) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is N-[(1R)-1-[1-[2-(4-cyanoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-[2-(4-cyanoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID41102600
Molecular FormulaC25H21N5O2
Molecular Weight423.48 g/mol
Exact Mass423.17
IUPAC NameN-[(1R)-1-[1-[2-(4-cyanoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C25H21N5O2/c1-17(27-25(32)19-7-3-2-4-8-19)24-29-21-9-5-6-10-22(21)30(24)16-23(31)28-20-13-11-18(15-26)12-14-20/h2-14,17H,16H2,1H3,(H,27,32)(H,28,31)/t17-/m1/s1
InChIKeyQPJJSHOTXUSQFG-QGZVFWFLSA-N
XLogP4.04
TPSA99.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-[2-(4-cyanoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 5002112
N-[1-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide
CID 3949916
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029637
4-chloro-N-[1-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029611
N-[(1R)-1-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 41184023
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
CID 4753696
N-[1-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029665
N-phenyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028613
N-[1-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 5109311
N-[1-[1-[2-oxo-2-(2-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 4001792
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 5400747
N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965517

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-[2-(4-cyanoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[(1R)-1-[1-[2-(4-cyanoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (CID 41102600) is N-[(1R)-1-[1-[2-(4-cyanoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[(1R)-1-[1-[2-(4-cyanoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[(1R)-1-[1-[2-(4-cyanoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-[(1R)-1-[1-[2-(4-cyanoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is QPJJSHOTXUSQFG-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H21N5O2/c1-17(27-25(32)19-7-3-2-4-8-19)24-29-21-9-5-6-10-22(21)30(24)16-23(31)28-20-13-11-18(15-26)12-14-20/h2-14,17H,16H2,1H3,(H,27,32)(H,28,31)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-[1-[2-(4-cyanoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
N-[(1R)-1-[1-[2-(4-cyanoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 423.48 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-[2-(4-cyanoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 41102600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).