3-acetamido-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-4-methylbenzamide

C21H24N4O2 — CID 86858408

IUPAC3-acetamido-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-4-methylbenzamide
SMILESCCn1c(C(C)NC(=O)c2ccc(C)c(NC(C)=O)c2)nc2ccccc21
InChIInChI=1S/C21H24N4O2/c1-5-25-19-9-7-6-8-17(19)24-20(25)14(3)22-21(27)16-11-10-13(2)18(12-16)23-15(4)26/h6-12,14H,5H2,1-4H3,(H,22,27)(H,23,26)
InChIKeyGNYQKZOMKONKRK-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.81
Rot. Bonds5

About 3-acetamido-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-4-methylbenzamide

3-acetamido-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-4-methylbenzamide (PubChem CID 86858408) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-acetamido-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-4-methylbenzamide
PubChem CID86858408
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-acetamido-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-4-methylbenzamide
SMILESCCn1c(C(C)NC(=O)c2ccc(C)c(NC(C)=O)c2)nc2ccccc21
InChIInChI=1S/C21H24N4O2/c1-5-25-19-9-7-6-8-17(19)24-20(25)14(3)22-21(27)16-11-10-13(2)18(12-16)23-15(4)26/h6-12,14H,5H2,1-4H3,(H,22,27)(H,23,26)
InChIKeyGNYQKZOMKONKRK-UHFFFAOYSA-N
XLogP3.81
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide
CID 751147
N-[1-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029665
4-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,5-dimethoxybenzamide
CID 60597747
N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-3-(methoxymethyl)benzamide
CID 95233946
2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
CID 16968998
3-bromo-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010269
6-amino-5-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 97060163
3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967026
N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 7025686
N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17029754
4-fluoro-N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]benzamide
CID 751168
4-chloro-N-[1-(1-propylbenzimidazol-2-yl)ethyl]benzamide
CID 17009463

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-4-methylbenzamide?
The IUPAC name of 3-acetamido-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-4-methylbenzamide (CID 86858408) is 3-acetamido-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-acetamido-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-4-methylbenzamide?
The canonical SMILES for 3-acetamido-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-4-methylbenzamide is CCn1c(C(C)NC(=O)c2ccc(C)c(NC(C)=O)c2)nc2ccccc21.
What is the InChIKey of 3-acetamido-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-4-methylbenzamide?
The InChIKey is GNYQKZOMKONKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-5-25-19-9-7-6-8-17(19)24-20(25)14(3)22-21(27)16-11-10-13(2)18(12-16)23-15(4)26/h6-12,14H,5H2,1-4H3,(H,22,27)(H,23,26).
What are the key properties of 3-acetamido-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-4-methylbenzamide?
3-acetamido-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-4-methylbenzamide has a molecular weight of 364.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 86858408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).