methyl 3-[[2-(1-methylbenzimidazol-5-yl)acetyl]amino]benzoate

C18H17N3O3 — CID 110772985

IUPACmethyl 3-[[2-(1-methylbenzimidazol-5-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Cc2ccc3c(c2)ncn3C)c1
InChIInChI=1S/C18H17N3O3/c1-21-11-19-15-8-12(6-7-16(15)21)9-17(22)20-14-5-3-4-13(10-14)18(23)24-2/h3-8,10-11H,9H2,1-2H3,(H,20,22)
InChIKeySYPRDNBUSNRWCL-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.54
Rot. Bonds4

About methyl 3-[[2-(1-methylbenzimidazol-5-yl)acetyl]amino]benzoate

methyl 3-[[2-(1-methylbenzimidazol-5-yl)acetyl]amino]benzoate (PubChem CID 110772985) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl 3-[[2-(1-methylbenzimidazol-5-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(1-methylbenzimidazol-5-yl)acetyl]amino]benzoate
PubChem CID110772985
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Namemethyl 3-[[2-(1-methylbenzimidazol-5-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Cc2ccc3c(c2)ncn3C)c1
InChIInChI=1S/C18H17N3O3/c1-21-11-19-15-8-12(6-7-16(15)21)9-17(22)20-14-5-3-4-13(10-14)18(23)24-2/h3-8,10-11H,9H2,1-2H3,(H,20,22)
InChIKeySYPRDNBUSNRWCL-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-(1-methylbenzimidazol-5-yl)acetyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxyphenyl)-2-(1-methylbenzimidazol-5-yl)acetamide
CID 110772965
2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728531
3-acetamido-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzamide
CID 110796161
methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate
CID 17414832
methyl 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate
CID 62505130
2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide
CID 110785836
2-(2-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728564
methyl 3-[(2-hydroxyacetyl)amino]benzoate
CID 82113146
methyl 3-[(3-anilino-3-oxopropanoyl)amino]benzoate
CID 108952857
3-(3,4-dimethoxyphenyl)-N-(1-methylbenzimidazol-5-yl)propanamide
CID 110744582
2-(1,2-dimethylbenzimidazol-5-yl)-N-(3-methylphenyl)acetamide
CID 110773176
N-(3-acetylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 110772327

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(1-methylbenzimidazol-5-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(1-methylbenzimidazol-5-yl)acetyl]amino]benzoate (CID 110772985) is methyl 3-[[2-(1-methylbenzimidazol-5-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(1-methylbenzimidazol-5-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(1-methylbenzimidazol-5-yl)acetyl]amino]benzoate is COC(=O)c1cccc(NC(=O)Cc2ccc3c(c2)ncn3C)c1.
What is the InChIKey of methyl 3-[[2-(1-methylbenzimidazol-5-yl)acetyl]amino]benzoate?
The InChIKey is SYPRDNBUSNRWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-21-11-19-15-8-12(6-7-16(15)21)9-17(22)20-14-5-3-4-13(10-14)18(23)24-2/h3-8,10-11H,9H2,1-2H3,(H,20,22).
What are the key properties of methyl 3-[[2-(1-methylbenzimidazol-5-yl)acetyl]amino]benzoate?
methyl 3-[[2-(1-methylbenzimidazol-5-yl)acetyl]amino]benzoate has a molecular weight of 323.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(1-methylbenzimidazol-5-yl)acetyl]amino]benzoate is sourced from PubChem (CID 110772985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).