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

C18H17N3O3 — CID 18166122

IUPACmethyl 2-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cn1c(C)nc2ccccc21
InChIInChI=1S/C18H17N3O3/c1-12-19-15-9-5-6-10-16(15)21(12)11-17(22)20-14-8-4-3-7-13(14)18(23)24-2/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyRMSGBWNUZQKHMG-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.77
Rot. Bonds4

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

methyl 2-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate (PubChem CID 18166122) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl 2-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate
PubChem CID18166122
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Namemethyl 2-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cn1c(C)nc2ccccc21
InChIInChI=1S/C18H17N3O3/c1-12-19-15-9-5-6-10-16(15)21(12)11-17(22)20-14-8-4-3-7-13(14)18(23)24-2/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyRMSGBWNUZQKHMG-UHFFFAOYSA-N
XLogP2.77
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 46507840
methyl 2-[[2-(2,5-dimethylpyrrol-1-yl)acetyl]amino]benzoate
CID 935456
N-(2-cyanophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 40689130
dimethyl 3-methyl-5-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate
CID 7755576
methyl 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]benzoate
CID 26067711
[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]thiourea
CID 42631308
N-(5-chloro-2-pyridinyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 40688756
ethyl 4-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate
CID 40540953
N-(4-iodophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755726
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
methyl 2-[[2-(4-methylpyrazol-1-yl)acetyl]amino]benzoate
CID 60527491
N'-[2-(2-methylbenzimidazol-1-yl)acetyl]-2-(2-methylphenyl)acetohydrazide
CID 127044969

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate (CID 18166122) is methyl 2-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)Cn1c(C)nc2ccccc21.
What is the InChIKey of methyl 2-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate?
The InChIKey is RMSGBWNUZQKHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-19-15-9-5-6-10-16(15)21(12)11-17(22)20-14-8-4-3-7-13(14)18(23)24-2/h3-10H,11H2,1-2H3,(H,20,22).
What are the key properties of methyl 2-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate?
methyl 2-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate has a molecular weight of 323.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 18166122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).