N-[(E)-thiophen-2-ylmethylideneamino]-1H-benzimidazol-2-amine

C12H10N4S — CID 5335835

IUPACN-[(E)-thiophen-2-ylmethylideneamino]-1H-benzimidazol-2-amine
SMILESC(=N/Nc1nc2ccccc2[nH]1)\c1cccs1
InChIInChI=1S/C12H10N4S/c1-2-6-11-10(5-1)14-12(15-11)16-13-8-9-4-3-7-17-9/h1-8H,(H2,14,15,16)/b13-8+
InChIKeyOWKAHRHEDRVZBK-MDWZMJQESA-N
MW242.31 g/mol
LogP3.07
Rot. Bonds3

About N-[(E)-thiophen-2-ylmethylideneamino]-1H-benzimidazol-2-amine

N-[(E)-thiophen-2-ylmethylideneamino]-1H-benzimidazol-2-amine (PubChem CID 5335835) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is N-[(E)-thiophen-2-ylmethylideneamino]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(E)-thiophen-2-ylmethylideneamino]-1H-benzimidazol-2-amine
PubChem CID5335835
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC NameN-[(E)-thiophen-2-ylmethylideneamino]-1H-benzimidazol-2-amine
SMILESC(=N/Nc1nc2ccccc2[nH]1)\c1cccs1
InChIInChI=1S/C12H10N4S/c1-2-6-11-10(5-1)14-12(15-11)16-13-8-9-4-3-7-17-9/h1-8H,(H2,14,15,16)/b13-8+
InChIKeyOWKAHRHEDRVZBK-MDWZMJQESA-N
XLogP3.07
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(5-Methyl-2-thienyl)-1H-benzimidazole
CID 870214
2-(2-thienyl)-1H-benzimidazole
CID 506600
FR117016
CID 447339
1H-1,3-benzimidazol-2-ylmethyl phenyl sulfide
CID 1486498
1-(prop-2-en-1-yl)-2-(thiophen-2-yl)-1H-1,3-benzodiazole
CID 962267
1-[(5-Nitro-2-thiophenyl)methylideneamino]-2-benzimidazolamine
CID 9557743
2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[(E)-(5-methylthiophen-2-yl)methylidene]acetohydrazide
CID 9594507
1-Thiophen-2-yl-1,2,3,4-tetrahydro-[1,2,4]triazino[4,5-a]benzimidazole
CID 60165809
4-[(1H-benzimidazol-2-ylthio)methyl]-2-thiazolamine
CID 767910
1H-Benzimidazole, 2-(2-thienylmethyl)-
CID 2359676
N-(1H-benzo[d]imidazol-2-yl)thiazol-2-amine
CID 11586565
1-butyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine
CID 2952705

Frequently Asked Questions

What is the IUPAC name of N-[(E)-thiophen-2-ylmethylideneamino]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(E)-thiophen-2-ylmethylideneamino]-1H-benzimidazol-2-amine (CID 5335835) is N-[(E)-thiophen-2-ylmethylideneamino]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(E)-thiophen-2-ylmethylideneamino]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(E)-thiophen-2-ylmethylideneamino]-1H-benzimidazol-2-amine is C(=N/Nc1nc2ccccc2[nH]1)\c1cccs1.
What is the InChIKey of N-[(E)-thiophen-2-ylmethylideneamino]-1H-benzimidazol-2-amine?
The InChIKey is OWKAHRHEDRVZBK-MDWZMJQESA-N. The full InChI is InChI=1S/C12H10N4S/c1-2-6-11-10(5-1)14-12(15-11)16-13-8-9-4-3-7-17-9/h1-8H,(H2,14,15,16)/b13-8+.
What are the key properties of N-[(E)-thiophen-2-ylmethylideneamino]-1H-benzimidazol-2-amine?
N-[(E)-thiophen-2-ylmethylideneamino]-1H-benzimidazol-2-amine has a molecular weight of 242.31 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-thiophen-2-ylmethylideneamino]-1H-benzimidazol-2-amine is sourced from PubChem (CID 5335835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).