(2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-thiophen-3-ylacetic acid

C13H10N4O2S — CID 10850760

IUPAC(2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-thiophen-3-ylacetic acid
SMILESO=C(O)/C(=N\Nc1nc2ccccc2[nH]1)c1ccsc1
InChIInChI=1S/C13H10N4O2S/c18-12(19)11(8-5-6-20-7-8)16-17-13-14-9-3-1-2-4-10(9)15-13/h1-7H,(H,18,19)(H2,14,15,17)/b16-11-
InChIKeyXUCKJXQMDWVFID-WJDWOHSUSA-N
MW286.32 g/mol
LogP2.53
Rot. Bonds4

About (2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-thiophen-3-ylacetic acid

(2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-thiophen-3-ylacetic acid (PubChem CID 10850760) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is (2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-thiophen-3-ylacetic acid.

Molecular Properties

Compound Name(2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-thiophen-3-ylacetic acid
PubChem CID10850760
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name(2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-thiophen-3-ylacetic acid
SMILESO=C(O)/C(=N\Nc1nc2ccccc2[nH]1)c1ccsc1
InChIInChI=1S/C13H10N4O2S/c18-12(19)11(8-5-6-20-7-8)16-17-13-14-9-3-1-2-4-10(9)15-13/h1-7H,(H,18,19)(H2,14,15,17)/b16-11-
InChIKeyXUCKJXQMDWVFID-WJDWOHSUSA-N
XLogP2.53
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-(furan-2-yl)acetic acid
CID 10778432
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine
CID 5396624
N-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide
CID 43029730
N-[1-(4-methoxyphenyl)propan-2-ylideneamino]-1H-benzimidazol-2-amine;oxalic acid
CID 73242970
N'-(1H-benzimidazol-2-yl)acetohydrazide
CID 14088792
4-(1H-benzimidazol-2-ylamino)benzoic acid
CID 10332480
N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-1H-benzimidazol-2-amine
CID 6085973
N-(1H-benzimidazol-2-yl)-1,2-thiazole-5-carboxamide
CID 21452404
N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1H-benzimidazol-2-amine
CID 135558240
N-[1-(2,6-difluorophenyl)ethylideneamino]-1H-benzimidazol-2-amine
CID 3966393
(2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541903
(2R)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541904

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-thiophen-3-ylacetic acid?
The IUPAC name of (2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-thiophen-3-ylacetic acid (CID 10850760) is (2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-thiophen-3-ylacetic acid.
What is the SMILES notation for (2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-thiophen-3-ylacetic acid?
The canonical SMILES for (2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-thiophen-3-ylacetic acid is O=C(O)/C(=N\Nc1nc2ccccc2[nH]1)c1ccsc1.
What is the InChIKey of (2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-thiophen-3-ylacetic acid?
The InChIKey is XUCKJXQMDWVFID-WJDWOHSUSA-N. The full InChI is InChI=1S/C13H10N4O2S/c18-12(19)11(8-5-6-20-7-8)16-17-13-14-9-3-1-2-4-10(9)15-13/h1-7H,(H,18,19)(H2,14,15,17)/b16-11-.
What are the key properties of (2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-thiophen-3-ylacetic acid?
(2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-thiophen-3-ylacetic acid has a molecular weight of 286.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-thiophen-3-ylacetic acid is sourced from PubChem (CID 10850760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).