methyl 2-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate

C17H15N3O3 — CID 110701106

IUPACmethyl 2-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccc2[nH]c(C)nc12
InChIInChI=1S/C17H15N3O3/c1-10-18-14-9-5-7-12(15(14)19-10)16(21)20-13-8-4-3-6-11(13)17(22)23-2/h3-9H,1-2H3,(H,18,19)(H,20,21)
InChIKeyPENCOELWSBCXMV-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.91
Rot. Bonds3

About methyl 2-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate

methyl 2-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate (PubChem CID 110701106) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is methyl 2-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate
PubChem CID110701106
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Namemethyl 2-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccc2[nH]c(C)nc12
InChIInChI=1S/C17H15N3O3/c1-10-18-14-9-5-7-12(15(14)19-10)16(21)20-13-8-4-3-6-11(13)17(22)23-2/h3-9H,1-2H3,(H,18,19)(H,20,21)
InChIKeyPENCOELWSBCXMV-UHFFFAOYSA-N
XLogP2.91
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-chloro-3-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate
CID 110701109
2-methyl-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 110701097
2-methyl-N-phenyl-1H-benzimidazole-4-carboxamide
CID 110701067
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1H-benzimidazole-4-carboxamide
CID 110701135
ethyl 2-methyl-1H-benzimidazole-4-carboxylate
CID 18680979
N-(3-fluorophenyl)-2-methyl-1H-benzimidazole-4-carboxamide
CID 110701119
N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide
CID 175751021
methyl 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110861554
methyl 2-[[2-[[2-[(2-nitrobenzoyl)amino]benzoyl]amino]benzoyl]amino]benzoate
CID 12618654
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
N-(1H-indazol-6-yl)-2-methyl-1H-benzimidazole-4-carboxamide
CID 110701118
4-methoxycarbonyl-1H-benzimidazole-2-carboxylic acid
CID 18354914

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate (CID 110701106) is methyl 2-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cccc2[nH]c(C)nc12.
What is the InChIKey of methyl 2-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate?
The InChIKey is PENCOELWSBCXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-10-18-14-9-5-7-12(15(14)19-10)16(21)20-13-8-4-3-6-11(13)17(22)23-2/h3-9H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of methyl 2-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate?
methyl 2-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate has a molecular weight of 309.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 110701106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).