methyl 2-[(3-methylbenzoyl)amino]-3H-benzimidazole-5-carboxylate

C17H15N3O3 — CID 169214807

IUPACmethyl 2-[(3-methylbenzoyl)amino]-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2nc(NC(=O)c3cccc(C)c3)[nH]c2c1
InChIInChI=1S/C17H15N3O3/c1-10-4-3-5-11(8-10)15(21)20-17-18-13-7-6-12(16(22)23-2)9-14(13)19-17/h3-9H,1-2H3,(H2,18,19,20,21)
InChIKeyNPYVOEANVFXWIH-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.91
Rot. Bonds3

About methyl 2-[(3-methylbenzoyl)amino]-3H-benzimidazole-5-carboxylate

methyl 2-[(3-methylbenzoyl)amino]-3H-benzimidazole-5-carboxylate (PubChem CID 169214807) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is methyl 2-[(3-methylbenzoyl)amino]-3H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-methylbenzoyl)amino]-3H-benzimidazole-5-carboxylate
PubChem CID169214807
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Namemethyl 2-[(3-methylbenzoyl)amino]-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2nc(NC(=O)c3cccc(C)c3)[nH]c2c1
InChIInChI=1S/C17H15N3O3/c1-10-4-3-5-11(8-10)15(21)20-17-18-13-7-6-12(16(22)23-2)9-14(13)19-17/h3-9H,1-2H3,(H2,18,19,20,21)
InChIKeyNPYVOEANVFXWIH-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 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 171703679
2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid
CID 13043986
methyl 4-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamoyl]benzoate
CID 17178369
3-amino-N-(1H-benzimidazol-2-yl)benzamide
CID 62060005
methyl 2-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxylate
CID 46995977
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
prop-2-enoyl 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylate
CID 10334341
methyl 2-benzyl-3H-benzimidazole-5-carboxylate
CID 4915686
methyl 4-[[2-[(3-methylbenzoyl)amino]benzoyl]amino]benzoate
CID 112762906
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-methoxybenzamide
CID 53199724
methyl 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-3H-benzimidazole-5-carboxylate
CID 154770873
N-(1H-benzimidazol-2-yl)-3-cyanobenzamide
CID 2635761

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methylbenzoyl)amino]-3H-benzimidazole-5-carboxylate?
The IUPAC name of methyl 2-[(3-methylbenzoyl)amino]-3H-benzimidazole-5-carboxylate (CID 169214807) is methyl 2-[(3-methylbenzoyl)amino]-3H-benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(3-methylbenzoyl)amino]-3H-benzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-[(3-methylbenzoyl)amino]-3H-benzimidazole-5-carboxylate is COC(=O)c1ccc2nc(NC(=O)c3cccc(C)c3)[nH]c2c1.
What is the InChIKey of methyl 2-[(3-methylbenzoyl)amino]-3H-benzimidazole-5-carboxylate?
The InChIKey is NPYVOEANVFXWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-10-4-3-5-11(8-10)15(21)20-17-18-13-7-6-12(16(22)23-2)9-14(13)19-17/h3-9H,1-2H3,(H2,18,19,20,21).
What are the key properties of methyl 2-[(3-methylbenzoyl)amino]-3H-benzimidazole-5-carboxylate?
methyl 2-[(3-methylbenzoyl)amino]-3H-benzimidazole-5-carboxylate 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-[(3-methylbenzoyl)amino]-3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 169214807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).