[2-[(4-carboxyphenyl)diazenyl]-2-(1-methylbenzimidazol-2-yl)ethenylidene]azanide

C17H12N5O2- — CID 135831326

IUPAC[2-[(4-carboxyphenyl)diazenyl]-2-(1-methylbenzimidazol-2-yl)ethenylidene]azanide
SMILESCn1c(C(=C=[N-])/N=N/c2ccc(C(=O)O)cc2)nc2ccccc21
InChIInChI=1S/C17H12N5O2/c1-22-15-5-3-2-4-13(15)19-16(22)14(10-18)21-20-12-8-6-11(7-9-12)17(23)24/h2-9H,1H3,(H,23,24)/q-1/b21-20+
InChIKeyRMCQQBCLDYCAMJ-QZQOTICOSA-N
MW318.32 g/mol
LogP3.64
Rot. Bonds4

About [2-[(4-carboxyphenyl)diazenyl]-2-(1-methylbenzimidazol-2-yl)ethenylidene]azanide

[2-[(4-carboxyphenyl)diazenyl]-2-(1-methylbenzimidazol-2-yl)ethenylidene]azanide (PubChem CID 135831326) has the molecular formula C17H12N5O2- and a molecular weight of 318.32 g/mol. Its IUPAC name is [2-[(4-carboxyphenyl)diazenyl]-2-(1-methylbenzimidazol-2-yl)ethenylidene]azanide.

Molecular Properties

Compound Name[2-[(4-carboxyphenyl)diazenyl]-2-(1-methylbenzimidazol-2-yl)ethenylidene]azanide
PubChem CID135831326
Molecular FormulaC17H12N5O2-
Molecular Weight318.32 g/mol
Exact Mass318.10
IUPAC Name[2-[(4-carboxyphenyl)diazenyl]-2-(1-methylbenzimidazol-2-yl)ethenylidene]azanide
SMILESCn1c(C(=C=[N-])/N=N/c2ccc(C(=O)O)cc2)nc2ccccc21
InChIInChI=1S/C17H12N5O2/c1-22-15-5-3-2-4-13(15)19-16(22)14(10-18)21-20-12-8-6-11(7-9-12)17(23)24/h2-9H,1H3,(H,23,24)/q-1/b21-20+
InChIKeyRMCQQBCLDYCAMJ-QZQOTICOSA-N
XLogP3.64
TPSA102.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

sodium 1-methylbenzimidazole-2-carboxylate
CID 131637939
[2-[(4-carboxyphenyl)diazenyl]-3-oxo-3-phenylprop-1-enylidene]azanide
CID 135796386
N,1-dimethyl-N-phenylbenzimidazole-2-carboxamide
CID 110469037
(Z)-[(1-methylbenzimidazol-2-yl)-phenylmethylidene]hydrazine
CID 177414906
N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide
CID 3968667
4-phenyldiazenylbenzoic acid
CID 15276
(1-methylbenzimidazol-2-yl)-piperidin-1-ylmethanone
CID 110469012
1-(1-methylbenzimidazol-2-yl)pentane-1,3-dione
CID 43114701
2-acetyl-3-methylbenzimidazole-5-carboxylic acid
CID 84622776
3-(4-tert-butylphenyl)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile
CID 3286676
(Z)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)-3-(4-phenylphenyl)prop-2-enenitrile
CID 135521654
(1-methylbenzimidazol-2-yl)-pyridin-3-ylmethanone
CID 74890600

Frequently Asked Questions

What is the IUPAC name of [2-[(4-carboxyphenyl)diazenyl]-2-(1-methylbenzimidazol-2-yl)ethenylidene]azanide?
The IUPAC name of [2-[(4-carboxyphenyl)diazenyl]-2-(1-methylbenzimidazol-2-yl)ethenylidene]azanide (CID 135831326) is [2-[(4-carboxyphenyl)diazenyl]-2-(1-methylbenzimidazol-2-yl)ethenylidene]azanide.
What is the SMILES notation for [2-[(4-carboxyphenyl)diazenyl]-2-(1-methylbenzimidazol-2-yl)ethenylidene]azanide?
The canonical SMILES for [2-[(4-carboxyphenyl)diazenyl]-2-(1-methylbenzimidazol-2-yl)ethenylidene]azanide is Cn1c(C(=C=[N-])/N=N/c2ccc(C(=O)O)cc2)nc2ccccc21.
What is the InChIKey of [2-[(4-carboxyphenyl)diazenyl]-2-(1-methylbenzimidazol-2-yl)ethenylidene]azanide?
The InChIKey is RMCQQBCLDYCAMJ-QZQOTICOSA-N. The full InChI is InChI=1S/C17H12N5O2/c1-22-15-5-3-2-4-13(15)19-16(22)14(10-18)21-20-12-8-6-11(7-9-12)17(23)24/h2-9H,1H3,(H,23,24)/q-1/b21-20+.
What are the key properties of [2-[(4-carboxyphenyl)diazenyl]-2-(1-methylbenzimidazol-2-yl)ethenylidene]azanide?
[2-[(4-carboxyphenyl)diazenyl]-2-(1-methylbenzimidazol-2-yl)ethenylidene]azanide has a molecular weight of 318.32 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-carboxyphenyl)diazenyl]-2-(1-methylbenzimidazol-2-yl)ethenylidene]azanide is sourced from PubChem (CID 135831326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).