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

C21H24N4O2 — CID 55782666

IUPACN-ethyl-3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)Cn2c(CC)nc3ccccc32)c1
InChIInChI=1S/C21H24N4O2/c1-4-19-23-16-8-6-7-9-18(16)25(19)13-20(26)24-17-12-15(11-10-14(17)3)21(27)22-5-2/h6-12H,4-5,13H2,1-3H3,(H,22,27)(H,24,26)
InChIKeyVCLAQQUPNQYFCO-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.30
Rot. Bonds6

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

N-ethyl-3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-4-methylbenzamide (PubChem CID 55782666) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-ethyl-3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-4-methylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-4-methylbenzamide
PubChem CID55782666
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-ethyl-3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)Cn2c(CC)nc3ccccc32)c1
InChIInChI=1S/C21H24N4O2/c1-4-19-23-16-8-6-7-9-18(16)25(19)13-20(26)24-17-12-15(11-10-14(17)3)21(27)22-5-2/h6-12H,4-5,13H2,1-3H3,(H,22,27)(H,24,26)
InChIKeyVCLAQQUPNQYFCO-UHFFFAOYSA-N
XLogP3.30
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 55785219
2-(2-ethylbenzimidazol-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 26286960
2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
N-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 17031125
2-(2-ethylbenzimidazol-1-yl)-N-(2-methoxyphenyl)acetamide
CID 5023490
2-methyl-N-[3-[1-[2-(2-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031446
N-(2,5-dimethylphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17031795
2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 17032461
N-[[1-[2-(2,6-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17029473
2-(2-benzylbenzimidazol-1-yl)-N-(2-methylphenyl)acetamide
CID 17032346
N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 167978506
3-benzamido-4-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 55634219

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-4-methylbenzamide?
The IUPAC name of N-ethyl-3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-4-methylbenzamide (CID 55782666) is N-ethyl-3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-4-methylbenzamide.
What is the SMILES notation for N-ethyl-3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-4-methylbenzamide?
The canonical SMILES for N-ethyl-3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-4-methylbenzamide is CCNC(=O)c1ccc(C)c(NC(=O)Cn2c(CC)nc3ccccc32)c1.
What is the InChIKey of N-ethyl-3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-4-methylbenzamide?
The InChIKey is VCLAQQUPNQYFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-4-19-23-16-8-6-7-9-18(16)25(19)13-20(26)24-17-12-15(11-10-14(17)3)21(27)22-5-2/h6-12H,4-5,13H2,1-3H3,(H,22,27)(H,24,26).
What are the key properties of N-ethyl-3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-4-methylbenzamide?
N-ethyl-3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-4-methylbenzamide has a molecular weight of 364.45 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-4-methylbenzamide is sourced from PubChem (CID 55782666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).