(Z)-2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethenol

C13H10N2OS — CID 135546030

IUPAC(Z)-2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethenol
SMILESO/C(=C\c1nc2ccccc2[nH]1)c1cccs1
InChIInChI=1S/C13H10N2OS/c16-11(12-6-3-7-17-12)8-13-14-9-4-1-2-5-10(9)15-13/h1-8,16H,(H,14,15)/b11-8-
InChIKeySJRMITVDOIROSD-FLIBITNWSA-N
MW242.30 g/mol
LogP3.68
Rot. Bonds2

About (Z)-2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethenol

(Z)-2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethenol (PubChem CID 135546030) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is (Z)-2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethenol.

Molecular Properties

Compound Name(Z)-2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethenol
PubChem CID135546030
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name(Z)-2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethenol
SMILESO/C(=C\c1nc2ccccc2[nH]1)c1cccs1
InChIInChI=1S/C13H10N2OS/c16-11(12-6-3-7-17-12)8-13-14-9-4-1-2-5-10(9)15-13/h1-8,16H,(H,14,15)/b11-8-
InChIKeySJRMITVDOIROSD-FLIBITNWSA-N
XLogP3.68
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide
CID 751095
2-(1H-benzimidazol-2-yl)-3-(3,5-dibromo-4-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 5022344
3-[(Z)-2-hydroxy-2-thiophen-2-ylethenyl]-1,4-benzoxazin-2-one
CID 135408470
3-(1H-benzimidazol-2-yl)prop-2-enoic acid
CID 4702151
N-[1-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)ethenyl]thiophene-2-carboxamide
CID 2883257
2-imidazo[1,2-c]quinazolin-5-yl-1-thiophen-2-ylethenol
CID 136503517
[(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphane
CID 20732162
2-[(Z)-prop-1-enyl]-1H-benzimidazole
CID 6166899
2-[2-(1H-benzimidazol-2-yl)ethenyl]phenol
CID 137201342
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]thiophene-2-carboxamide
CID 6457189
[(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphonic acid
CID 23453413
1H-benzimidazole-2-carbaldehyde;ethane;molecular hydrogen
CID 143522303

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethenol?
The IUPAC name of (Z)-2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethenol (CID 135546030) is (Z)-2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethenol.
What is the SMILES notation for (Z)-2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethenol?
The canonical SMILES for (Z)-2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethenol is O/C(=C\c1nc2ccccc2[nH]1)c1cccs1.
What is the InChIKey of (Z)-2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethenol?
The InChIKey is SJRMITVDOIROSD-FLIBITNWSA-N. The full InChI is InChI=1S/C13H10N2OS/c16-11(12-6-3-7-17-12)8-13-14-9-4-1-2-5-10(9)15-13/h1-8,16H,(H,14,15)/b11-8-.
What are the key properties of (Z)-2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethenol?
(Z)-2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethenol has a molecular weight of 242.30 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethenol is sourced from PubChem (CID 135546030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).