(Z)-1-[5-(benzimidazol-1-yl)thiophen-2-yl]-N-methoxypentan-1-imine

C17H19N3OS — CID 58284836

IUPAC(Z)-1-[5-(benzimidazol-1-yl)thiophen-2-yl]-N-methoxypentan-1-imine
SMILESCCCC/C(=N/OC)c1ccc(-n2cnc3ccccc32)s1
InChIInChI=1S/C17H19N3OS/c1-3-4-7-14(19-21-2)16-10-11-17(22-16)20-12-18-13-8-5-6-9-15(13)20/h5-6,8-12H,3-4,7H2,1-2H3/b19-14-
InChIKeyZXDJHCBHUPCLQE-RGEXLXHISA-N
MW313.43 g/mol
LogP4.63
Rot. Bonds6

About (Z)-1-[5-(benzimidazol-1-yl)thiophen-2-yl]-N-methoxypentan-1-imine

(Z)-1-[5-(benzimidazol-1-yl)thiophen-2-yl]-N-methoxypentan-1-imine (PubChem CID 58284836) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is (Z)-1-[5-(benzimidazol-1-yl)thiophen-2-yl]-N-methoxypentan-1-imine.

Molecular Properties

Compound Name(Z)-1-[5-(benzimidazol-1-yl)thiophen-2-yl]-N-methoxypentan-1-imine
PubChem CID58284836
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name(Z)-1-[5-(benzimidazol-1-yl)thiophen-2-yl]-N-methoxypentan-1-imine
SMILESCCCC/C(=N/OC)c1ccc(-n2cnc3ccccc32)s1
InChIInChI=1S/C17H19N3OS/c1-3-4-7-14(19-21-2)16-10-11-17(22-16)20-12-18-13-8-5-6-9-15(13)20/h5-6,8-12H,3-4,7H2,1-2H3/b19-14-
InChIKeyZXDJHCBHUPCLQE-RGEXLXHISA-N
XLogP4.63
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.63
H-Bond Donors ≤ 50
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

1-[5-(benzimidazol-1-yl)thiophen-2-yl]pentan-1-one
CID 58284825
5-(benzimidazol-1-yl)thiophene-2-carboxamide
CID 58284917
bis(1-butylbenzimidazole);ethane
CID 142164287
1-(butylsulfanylmethyl)benzimidazole
CID 4304990
4-bromo-1-(5-bromothiophen-2-yl)-N-methoxybutan-1-imine
CID 163212355
1-(2-ethylphenyl)benzimidazole
CID 22078308
1-(5-nitrothiophen-2-yl)benzimidazole
CID 67862220
N-[6-(benzimidazol-1-yl)-3-pyridinyl]pentanamide
CID 134004728
1-[5-(4-fluorophenyl)thiophen-2-yl]benzimidazole
CID 171782138
N-ethyl-5-(5-methylbenzimidazol-1-yl)thiophene-2-carboxamide
CID 58284862
1-(1-benzothiophen-2-yl)benzimidazole
CID 90680843
1-(4-ethoxyphenyl)benzimidazole
CID 175001446

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[5-(benzimidazol-1-yl)thiophen-2-yl]-N-methoxypentan-1-imine?
The IUPAC name of (Z)-1-[5-(benzimidazol-1-yl)thiophen-2-yl]-N-methoxypentan-1-imine (CID 58284836) is (Z)-1-[5-(benzimidazol-1-yl)thiophen-2-yl]-N-methoxypentan-1-imine.
What is the SMILES notation for (Z)-1-[5-(benzimidazol-1-yl)thiophen-2-yl]-N-methoxypentan-1-imine?
The canonical SMILES for (Z)-1-[5-(benzimidazol-1-yl)thiophen-2-yl]-N-methoxypentan-1-imine is CCCC/C(=N/OC)c1ccc(-n2cnc3ccccc32)s1.
What is the InChIKey of (Z)-1-[5-(benzimidazol-1-yl)thiophen-2-yl]-N-methoxypentan-1-imine?
The InChIKey is ZXDJHCBHUPCLQE-RGEXLXHISA-N. The full InChI is InChI=1S/C17H19N3OS/c1-3-4-7-14(19-21-2)16-10-11-17(22-16)20-12-18-13-8-5-6-9-15(13)20/h5-6,8-12H,3-4,7H2,1-2H3/b19-14-.
What are the key properties of (Z)-1-[5-(benzimidazol-1-yl)thiophen-2-yl]-N-methoxypentan-1-imine?
(Z)-1-[5-(benzimidazol-1-yl)thiophen-2-yl]-N-methoxypentan-1-imine has a molecular weight of 313.43 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[5-(benzimidazol-1-yl)thiophen-2-yl]-N-methoxypentan-1-imine is sourced from PubChem (CID 58284836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).