5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde

C14H11N3OS — CID 57329791

IUPAC5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(Cn3ccnc3)cn2)s1
InChIInChI=1S/C14H11N3OS/c18-9-12-2-4-14(19-12)13-3-1-11(7-16-13)8-17-6-5-15-10-17/h1-7,9-10H,8H2
InChIKeyVILVKXGEHAYVOY-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.87
Rot. Bonds4

About 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde

5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde (PubChem CID 57329791) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde
PubChem CID57329791
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(Cn3ccnc3)cn2)s1
InChIInChI=1S/C14H11N3OS/c18-9-12-2-4-14(19-12)13-3-1-11(7-16-13)8-17-6-5-15-10-17/h1-7,9-10H,8H2
InChIKeyVILVKXGEHAYVOY-UHFFFAOYSA-N
XLogP2.87
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde (CID 57329791) is 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde is O=Cc1ccc(-c2ccc(Cn3ccnc3)cn2)s1.
What is the InChIKey of 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde?
The InChIKey is VILVKXGEHAYVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c18-9-12-2-4-14(19-12)13-3-1-11(7-16-13)8-17-6-5-15-10-17/h1-7,9-10H,8H2.
What are the key properties of 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde?
5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde has a molecular weight of 269.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 57329791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).