N-[2-[(E)-2-phenylethenyl]-1-pyridin-2-ylbenzimidazol-5-yl]formamide

C21H16N4O — CID 22736769

IUPACN-[2-[(E)-2-phenylethenyl]-1-pyridin-2-ylbenzimidazol-5-yl]formamide
SMILESO=CNc1ccc2c(c1)nc(/C=C/c1ccccc1)n2-c1ccccn1
InChIInChI=1S/C21H16N4O/c26-15-23-17-10-11-19-18(14-17)24-21(12-9-16-6-2-1-3-7-16)25(19)20-8-4-5-13-22-20/h1-15H,(H,23,26)/b12-9+
InChIKeyRHNUWYDMTHMFRG-FMIVXFBMSA-N
MW340.39 g/mol
LogP4.16
Rot. Bonds5

About N-[2-[(E)-2-phenylethenyl]-1-pyridin-2-ylbenzimidazol-5-yl]formamide

N-[2-[(E)-2-phenylethenyl]-1-pyridin-2-ylbenzimidazol-5-yl]formamide (PubChem CID 22736769) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[2-[(E)-2-phenylethenyl]-1-pyridin-2-ylbenzimidazol-5-yl]formamide.

Molecular Properties

Compound NameN-[2-[(E)-2-phenylethenyl]-1-pyridin-2-ylbenzimidazol-5-yl]formamide
PubChem CID22736769
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC NameN-[2-[(E)-2-phenylethenyl]-1-pyridin-2-ylbenzimidazol-5-yl]formamide
SMILESO=CNc1ccc2c(c1)nc(/C=C/c1ccccc1)n2-c1ccccn1
InChIInChI=1S/C21H16N4O/c26-15-23-17-10-11-19-18(14-17)24-21(12-9-16-6-2-1-3-7-16)25(19)20-8-4-5-13-22-20/h1-15H,(H,23,26)/b12-9+
InChIKeyRHNUWYDMTHMFRG-FMIVXFBMSA-N
XLogP4.16
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-2-phenylethenyl]-1-pyridin-2-ylbenzimidazol-5-yl]formamide?
The IUPAC name of N-[2-[(E)-2-phenylethenyl]-1-pyridin-2-ylbenzimidazol-5-yl]formamide (CID 22736769) is N-[2-[(E)-2-phenylethenyl]-1-pyridin-2-ylbenzimidazol-5-yl]formamide.
What is the SMILES notation for N-[2-[(E)-2-phenylethenyl]-1-pyridin-2-ylbenzimidazol-5-yl]formamide?
The canonical SMILES for N-[2-[(E)-2-phenylethenyl]-1-pyridin-2-ylbenzimidazol-5-yl]formamide is O=CNc1ccc2c(c1)nc(/C=C/c1ccccc1)n2-c1ccccn1.
What is the InChIKey of N-[2-[(E)-2-phenylethenyl]-1-pyridin-2-ylbenzimidazol-5-yl]formamide?
The InChIKey is RHNUWYDMTHMFRG-FMIVXFBMSA-N. The full InChI is InChI=1S/C21H16N4O/c26-15-23-17-10-11-19-18(14-17)24-21(12-9-16-6-2-1-3-7-16)25(19)20-8-4-5-13-22-20/h1-15H,(H,23,26)/b12-9+.
What are the key properties of N-[2-[(E)-2-phenylethenyl]-1-pyridin-2-ylbenzimidazol-5-yl]formamide?
N-[2-[(E)-2-phenylethenyl]-1-pyridin-2-ylbenzimidazol-5-yl]formamide has a molecular weight of 340.39 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-2-phenylethenyl]-1-pyridin-2-ylbenzimidazol-5-yl]formamide is sourced from PubChem (CID 22736769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).