2-(4-amino-2-thiophen-2-ylbenzimidazol-1-yl)acetohydrazide

C13H13N5OS — CID 82067742

IUPAC2-(4-amino-2-thiophen-2-ylbenzimidazol-1-yl)acetohydrazide
SMILESNNC(=O)Cn1c(-c2cccs2)nc2c(N)cccc21
InChIInChI=1S/C13H13N5OS/c14-8-3-1-4-9-12(8)16-13(10-5-2-6-20-10)18(9)7-11(19)17-15/h1-6H,7,14-15H2,(H,17,19)
InChIKeyAVRSROIJLHPCNM-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.34
Rot. Bonds3

About 2-(4-amino-2-thiophen-2-ylbenzimidazol-1-yl)acetohydrazide

2-(4-amino-2-thiophen-2-ylbenzimidazol-1-yl)acetohydrazide (PubChem CID 82067742) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-(4-amino-2-thiophen-2-ylbenzimidazol-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4-amino-2-thiophen-2-ylbenzimidazol-1-yl)acetohydrazide
PubChem CID82067742
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name2-(4-amino-2-thiophen-2-ylbenzimidazol-1-yl)acetohydrazide
SMILESNNC(=O)Cn1c(-c2cccs2)nc2c(N)cccc21
InChIInChI=1S/C13H13N5OS/c14-8-3-1-4-9-12(8)16-13(10-5-2-6-20-10)18(9)7-11(19)17-15/h1-6H,7,14-15H2,(H,17,19)
InChIKeyAVRSROIJLHPCNM-UHFFFAOYSA-N
XLogP1.34
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enyl-2-thiophen-2-ylbenzimidazol-4-amine
CID 82067751
2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide
CID 82067406
2-(4-amino-2-benzylbenzimidazol-1-yl)acetohydrazide
CID 82067997
2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetohydrazide
CID 82067484
2-[4-amino-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]-N-methylacetamide
CID 82067994
2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide
CID 82067577
2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide
CID 82067163
2-(4-amino-2-ethylbenzimidazol-1-yl)-N-benzylacetamide
CID 93215468
2-[4-amino-2-(4-fluorophenyl)benzimidazol-1-yl]acetamide
CID 82067899
N-(3-methoxyphenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide
CID 17033366
N-(furan-2-ylmethyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
CID 24539605
2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-propylacetamide
CID 82067573

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-thiophen-2-ylbenzimidazol-1-yl)acetohydrazide?
The IUPAC name of 2-(4-amino-2-thiophen-2-ylbenzimidazol-1-yl)acetohydrazide (CID 82067742) is 2-(4-amino-2-thiophen-2-ylbenzimidazol-1-yl)acetohydrazide.
What is the SMILES notation for 2-(4-amino-2-thiophen-2-ylbenzimidazol-1-yl)acetohydrazide?
The canonical SMILES for 2-(4-amino-2-thiophen-2-ylbenzimidazol-1-yl)acetohydrazide is NNC(=O)Cn1c(-c2cccs2)nc2c(N)cccc21.
What is the InChIKey of 2-(4-amino-2-thiophen-2-ylbenzimidazol-1-yl)acetohydrazide?
The InChIKey is AVRSROIJLHPCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c14-8-3-1-4-9-12(8)16-13(10-5-2-6-20-10)18(9)7-11(19)17-15/h1-6H,7,14-15H2,(H,17,19).
What are the key properties of 2-(4-amino-2-thiophen-2-ylbenzimidazol-1-yl)acetohydrazide?
2-(4-amino-2-thiophen-2-ylbenzimidazol-1-yl)acetohydrazide has a molecular weight of 287.35 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-thiophen-2-ylbenzimidazol-1-yl)acetohydrazide is sourced from PubChem (CID 82067742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).