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

C16H12N3O3- — CID 6969911

IUPAC4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate
SMILESO=C(Cn1cnc2ccccc21)Nc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C16H13N3O3/c20-15(18-12-7-5-11(6-8-12)16(21)22)9-19-10-17-13-3-1-2-4-14(13)19/h1-8,10H,9H2,(H,18,20)(H,21,22)/p-1
InChIKeyVRLPBLIDRXOVTI-UHFFFAOYSA-M
MW294.29 g/mol
LogP1.04
Rot. Bonds4

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

4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate (PubChem CID 6969911) has the molecular formula C16H12N3O3- and a molecular weight of 294.29 g/mol. Its IUPAC name is 4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Name4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate
PubChem CID6969911
Molecular FormulaC16H12N3O3-
Molecular Weight294.29 g/mol
Exact Mass294.09
IUPAC Name4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate
SMILESO=C(Cn1cnc2ccccc21)Nc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C16H13N3O3/c20-15(18-12-7-5-11(6-8-12)16(21)22)9-19-10-17-13-3-1-2-4-14(13)19/h1-8,10H,9H2,(H,18,20)(H,21,22)/p-1
InChIKeyVRLPBLIDRXOVTI-UHFFFAOYSA-M
XLogP1.04
TPSA87.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide
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2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide
CID 6459558
2-(benzimidazol-1-yl)-N-(3-phenylphenyl)acetamide;hydrochloride
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2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 744841
2-(benzimidazol-1-yl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024411
2-(benzimidazol-1-yl)-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 122324098
N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16781831
2-(benzimidazol-1-yl)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 122288252
2-(benzimidazol-1-yl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide
CID 121033246
2-(benzimidazol-1-yl)-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate?
The IUPAC name of 4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate (CID 6969911) is 4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for 4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate?
The canonical SMILES for 4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate is O=C(Cn1cnc2ccccc21)Nc1ccc(C(=O)[O-])cc1.
What is the InChIKey of 4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate?
The InChIKey is VRLPBLIDRXOVTI-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H13N3O3/c20-15(18-12-7-5-11(6-8-12)16(21)22)9-19-10-17-13-3-1-2-4-14(13)19/h1-8,10H,9H2,(H,18,20)(H,21,22)/p-1.
What are the key properties of 4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate?
4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate has a molecular weight of 294.29 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 6969911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).