2-[6-[(4-methanehydrazonoylbenzoyl)amino]-1H-benzimidazol-2-yl]acetic acid

C17H15N5O3 — CID 70062661

IUPAC2-[6-[(4-methanehydrazonoylbenzoyl)amino]-1H-benzimidazol-2-yl]acetic acid
SMILESNN=Cc1ccc(C(=O)Nc2ccc3nc(CC(=O)O)[nH]c3c2)cc1
InChIInChI=1S/C17H15N5O3/c18-19-9-10-1-3-11(4-2-10)17(25)20-12-5-6-13-14(7-12)22-15(21-13)8-16(23)24/h1-7,9H,8,18H2,(H,20,25)(H,21,22)(H,23,24)
InChIKeyLPMBCWGWDLVSGL-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.73
Rot. Bonds5

About 2-[6-[(4-methanehydrazonoylbenzoyl)amino]-1H-benzimidazol-2-yl]acetic acid

2-[6-[(4-methanehydrazonoylbenzoyl)amino]-1H-benzimidazol-2-yl]acetic acid (PubChem CID 70062661) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-[6-[(4-methanehydrazonoylbenzoyl)amino]-1H-benzimidazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[(4-methanehydrazonoylbenzoyl)amino]-1H-benzimidazol-2-yl]acetic acid
PubChem CID70062661
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name2-[6-[(4-methanehydrazonoylbenzoyl)amino]-1H-benzimidazol-2-yl]acetic acid
SMILESNN=Cc1ccc(C(=O)Nc2ccc3nc(CC(=O)O)[nH]c3c2)cc1
InChIInChI=1S/C17H15N5O3/c18-19-9-10-1-3-11(4-2-10)17(25)20-12-5-6-13-14(7-12)22-15(21-13)8-16(23)24/h1-7,9H,8,18H2,(H,20,25)(H,21,22)(H,23,24)
InChIKeyLPMBCWGWDLVSGL-UHFFFAOYSA-N
XLogP1.73
TPSA133.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328956
4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328967
4-(aminomethyl)-N-(2-butyl-3H-benzimidazol-5-yl)benzamide
CID 119854404
N-(2-chloro-3H-benzimidazol-5-yl)benzamide
CID 84581019
4-nitro-N-[2-[6-[(4-nitrobenzoyl)amino]-1H-benzimidazol-2-yl]ethyl]benzamide
CID 139827225
4-[[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]carbamoyl]benzoic acid
CID 163266294
4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 2832124
N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,2-benzothiazole-5-carboxamide
CID 166327747
N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-(propan-2-ylsulfamoyl)benzamide
CID 52661392
3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328987
2-(2-aminoethyl)-N-[4-(phenylsulfamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 162521246
2-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526687

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4-methanehydrazonoylbenzoyl)amino]-1H-benzimidazol-2-yl]acetic acid?
The IUPAC name of 2-[6-[(4-methanehydrazonoylbenzoyl)amino]-1H-benzimidazol-2-yl]acetic acid (CID 70062661) is 2-[6-[(4-methanehydrazonoylbenzoyl)amino]-1H-benzimidazol-2-yl]acetic acid.
What is the SMILES notation for 2-[6-[(4-methanehydrazonoylbenzoyl)amino]-1H-benzimidazol-2-yl]acetic acid?
The canonical SMILES for 2-[6-[(4-methanehydrazonoylbenzoyl)amino]-1H-benzimidazol-2-yl]acetic acid is NN=Cc1ccc(C(=O)Nc2ccc3nc(CC(=O)O)[nH]c3c2)cc1.
What is the InChIKey of 2-[6-[(4-methanehydrazonoylbenzoyl)amino]-1H-benzimidazol-2-yl]acetic acid?
The InChIKey is LPMBCWGWDLVSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c18-19-9-10-1-3-11(4-2-10)17(25)20-12-5-6-13-14(7-12)22-15(21-13)8-16(23)24/h1-7,9H,8,18H2,(H,20,25)(H,21,22)(H,23,24).
What are the key properties of 2-[6-[(4-methanehydrazonoylbenzoyl)amino]-1H-benzimidazol-2-yl]acetic acid?
2-[6-[(4-methanehydrazonoylbenzoyl)amino]-1H-benzimidazol-2-yl]acetic acid has a molecular weight of 337.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4-methanehydrazonoylbenzoyl)amino]-1H-benzimidazol-2-yl]acetic acid is sourced from PubChem (CID 70062661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).