ethyl 4-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate

C19H19N3O3 — CID 40540953

IUPACethyl 4-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cn2c(C)nc3ccccc32)cc1
InChIInChI=1S/C19H19N3O3/c1-3-25-19(24)14-8-10-15(11-9-14)21-18(23)12-22-13(2)20-16-6-4-5-7-17(16)22/h4-11H,3,12H2,1-2H3,(H,21,23)
InChIKeyFBXDUDMQYGKYIN-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.16
Rot. Bonds5

About ethyl 4-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate

ethyl 4-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate (PubChem CID 40540953) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl 4-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate
PubChem CID40540953
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Nameethyl 4-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cn2c(C)nc3ccccc32)cc1
InChIInChI=1S/C19H19N3O3/c1-3-25-19(24)14-8-10-15(11-9-14)21-18(23)12-22-13(2)20-16-6-4-5-7-17(16)22/h4-11H,3,12H2,1-2H3,(H,21,23)
InChIKeyFBXDUDMQYGKYIN-UHFFFAOYSA-N
XLogP3.16
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]benzoate
CID 1017543
N-(4-iodophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755726
2-(2-methylbenzimidazol-1-yl)-N-(4-nitrophenyl)acetamide
CID 7755868
ethyl 4-[[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate
CID 7748899
methyl 4-[[2-[4-[(2-methylbenzimidazol-1-yl)methyl]piperidin-1-yl]acetyl]amino]benzoate;oxalic acid
CID 71780915
[2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate
CID 2422588
methyl 2-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate
CID 18166122
butyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
CID 2469455
2-(2-methylbenzimidazol-1-yl)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 94103645
methyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
CID 26098218
N-(4-ethoxyphenyl)-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 3460449
N-(2-cyanophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 40689130

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate (CID 40540953) is ethyl 4-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)Cn2c(C)nc3ccccc32)cc1.
What is the InChIKey of ethyl 4-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate?
The InChIKey is FBXDUDMQYGKYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-25-19(24)14-8-10-15(11-9-14)21-18(23)12-22-13(2)20-16-6-4-5-7-17(16)22/h4-11H,3,12H2,1-2H3,(H,21,23).
What are the key properties of ethyl 4-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate?
ethyl 4-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate has a molecular weight of 337.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 40540953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).