N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]butanamide

C21H23N3O2 — CID 16968848

IUPACN-[1-(1-phenacylbenzimidazol-2-yl)ethyl]butanamide
SMILESCCCC(=O)NC(C)c1nc2ccccc2n1CC(=O)c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-3-9-20(26)22-15(2)21-23-17-12-7-8-13-18(17)24(21)14-19(25)16-10-5-4-6-11-16/h4-8,10-13,15H,3,9,14H2,1-2H3,(H,22,26)
InChIKeyUWZLPTXTOATVNV-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.90
Rot. Bonds7

About N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]butanamide

N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]butanamide (PubChem CID 16968848) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[1-(1-phenacylbenzimidazol-2-yl)ethyl]butanamide
PubChem CID16968848
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[1-(1-phenacylbenzimidazol-2-yl)ethyl]butanamide
SMILESCCCC(=O)NC(C)c1nc2ccccc2n1CC(=O)c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-3-9-20(26)22-15(2)21-23-17-12-7-8-13-18(17)24(21)14-19(25)16-10-5-4-6-11-16/h4-8,10-13,15H,3,9,14H2,1-2H3,(H,22,26)
InChIKeyUWZLPTXTOATVNV-UHFFFAOYSA-N
XLogP3.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
CID 7023923
N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965517
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 60597479
N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 16968736
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
CID 4592510
N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
CID 751172
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
CID 751204
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17029919
N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide
CID 751155
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029637
3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16970469
4-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 120565069

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]butanamide?
The IUPAC name of N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]butanamide (CID 16968848) is N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]butanamide.
What is the SMILES notation for N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]butanamide?
The canonical SMILES for N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]butanamide is CCCC(=O)NC(C)c1nc2ccccc2n1CC(=O)c1ccccc1.
What is the InChIKey of N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]butanamide?
The InChIKey is UWZLPTXTOATVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-9-20(26)22-15(2)21-23-17-12-7-8-13-18(17)24(21)14-19(25)16-10-5-4-6-11-16/h4-8,10-13,15H,3,9,14H2,1-2H3,(H,22,26).
What are the key properties of N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]butanamide?
N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]butanamide has a molecular weight of 349.43 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 16968848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).