[2-(1H-benzimidazol-2-yl)-3-(3-carboxyphenyl)iminoprop-1-enylidene]azanide

C17H11N4O2- — CID 135526748

IUPAC[2-(1H-benzimidazol-2-yl)-3-(3-carboxyphenyl)iminoprop-1-enylidene]azanide
SMILES[N-]=C=C(/C=N/c1cccc(C(=O)O)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H11N4O2/c18-9-12(16-20-14-6-1-2-7-15(14)21-16)10-19-13-5-3-4-11(8-13)17(22)23/h1-8,10H,(H,20,21)(H,22,23)/q-1/b19-10+
InChIKeyCFSRBHCMIOPGRD-VXLYETTFSA-N
MW303.30 g/mol
LogP3.29
Rot. Bonds4

About [2-(1H-benzimidazol-2-yl)-3-(3-carboxyphenyl)iminoprop-1-enylidene]azanide

[2-(1H-benzimidazol-2-yl)-3-(3-carboxyphenyl)iminoprop-1-enylidene]azanide (PubChem CID 135526748) has the molecular formula C17H11N4O2- and a molecular weight of 303.30 g/mol. Its IUPAC name is [2-(1H-benzimidazol-2-yl)-3-(3-carboxyphenyl)iminoprop-1-enylidene]azanide.

Molecular Properties

Compound Name[2-(1H-benzimidazol-2-yl)-3-(3-carboxyphenyl)iminoprop-1-enylidene]azanide
PubChem CID135526748
Molecular FormulaC17H11N4O2-
Molecular Weight303.30 g/mol
Exact Mass303.09
IUPAC Name[2-(1H-benzimidazol-2-yl)-3-(3-carboxyphenyl)iminoprop-1-enylidene]azanide
SMILES[N-]=C=C(/C=N/c1cccc(C(=O)O)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H11N4O2/c18-9-12(16-20-14-6-1-2-7-15(14)21-16)10-19-13-5-3-4-11(8-13)17(22)23/h1-8,10H,(H,20,21)(H,22,23)/q-1/b19-10+
InChIKeyCFSRBHCMIOPGRD-VXLYETTFSA-N
XLogP3.29
TPSA100.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [2-(1H-benzimidazol-2-yl)-3-(3-carboxyphenyl)iminoprop-1-enylidene]azanide 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

1H-benzimidazole-2-carboxylic acid;cadmium
CID 174957595
3-[[6-[(3-carboxyphenyl)iminomethyl]-2-pyridinyl]methylideneamino]benzoic acid
CID 71292598
3-aminobenzoic acid;1H-benzimidazol-2-amine
CID 23298600
3-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]benzoic acid
CID 5286533
3-phenyldiazenylbenzoic acid
CID 555783
3-(1H-benzimidazol-2-yloxy)benzoic acid
CID 71564536
[4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone
CID 70019507
2-(1H-benzimidazol-2-yl)-3-hydroxy-3-(3-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 152751441
3-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyanilino]benzoic acid
CID 73372336
1H-benzimidazole-2-carbothioic S-acid
CID 19781386
4-[2-[1H-benzimidazol-2-yl(cyano)methylidene]hydrazinyl]benzoic acid
CID 4094799
(6-hydroxy-1H-benzimidazol-2-yl)-phenylmethanone
CID 13162244

Frequently Asked Questions

What is the IUPAC name of [2-(1H-benzimidazol-2-yl)-3-(3-carboxyphenyl)iminoprop-1-enylidene]azanide?
The IUPAC name of [2-(1H-benzimidazol-2-yl)-3-(3-carboxyphenyl)iminoprop-1-enylidene]azanide (CID 135526748) is [2-(1H-benzimidazol-2-yl)-3-(3-carboxyphenyl)iminoprop-1-enylidene]azanide.
What is the SMILES notation for [2-(1H-benzimidazol-2-yl)-3-(3-carboxyphenyl)iminoprop-1-enylidene]azanide?
The canonical SMILES for [2-(1H-benzimidazol-2-yl)-3-(3-carboxyphenyl)iminoprop-1-enylidene]azanide is [N-]=C=C(/C=N/c1cccc(C(=O)O)c1)c1nc2ccccc2[nH]1.
What is the InChIKey of [2-(1H-benzimidazol-2-yl)-3-(3-carboxyphenyl)iminoprop-1-enylidene]azanide?
The InChIKey is CFSRBHCMIOPGRD-VXLYETTFSA-N. The full InChI is InChI=1S/C17H11N4O2/c18-9-12(16-20-14-6-1-2-7-15(14)21-16)10-19-13-5-3-4-11(8-13)17(22)23/h1-8,10H,(H,20,21)(H,22,23)/q-1/b19-10+.
What are the key properties of [2-(1H-benzimidazol-2-yl)-3-(3-carboxyphenyl)iminoprop-1-enylidene]azanide?
[2-(1H-benzimidazol-2-yl)-3-(3-carboxyphenyl)iminoprop-1-enylidene]azanide has a molecular weight of 303.30 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-benzimidazol-2-yl)-3-(3-carboxyphenyl)iminoprop-1-enylidene]azanide is sourced from PubChem (CID 135526748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).