(2E,4E)-N-[4-(benzimidazol-1-yl)phenyl]hexa-2,4-dienamide

C19H17N3O — CID 75413355

IUPAC(2E,4E)-N-[4-(benzimidazol-1-yl)phenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C19H17N3O/c1-2-3-4-9-19(23)21-15-10-12-16(13-11-15)22-14-20-17-7-5-6-8-18(17)22/h2-14H,1H3,(H,21,23)/b3-2+,9-4+
InChIKeyBBUSQBKQFKLCQR-DSXPNFDZSA-N
MW303.37 g/mol
LogP4.10
Rot. Bonds4

About (2E,4E)-N-[4-(benzimidazol-1-yl)phenyl]hexa-2,4-dienamide

(2E,4E)-N-[4-(benzimidazol-1-yl)phenyl]hexa-2,4-dienamide (PubChem CID 75413355) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is (2E,4E)-N-[4-(benzimidazol-1-yl)phenyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[4-(benzimidazol-1-yl)phenyl]hexa-2,4-dienamide
PubChem CID75413355
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name(2E,4E)-N-[4-(benzimidazol-1-yl)phenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C19H17N3O/c1-2-3-4-9-19(23)21-15-10-12-16(13-11-15)22-14-20-17-7-5-6-8-18(17)22/h2-14H,1H3,(H,21,23)/b3-2+,9-4+
InChIKeyBBUSQBKQFKLCQR-DSXPNFDZSA-N
XLogP4.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[4-(benzimidazol-1-yl)phenyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[4-(benzimidazol-1-yl)phenyl]hexa-2,4-dienamide (CID 75413355) is (2E,4E)-N-[4-(benzimidazol-1-yl)phenyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[4-(benzimidazol-1-yl)phenyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[4-(benzimidazol-1-yl)phenyl]hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of (2E,4E)-N-[4-(benzimidazol-1-yl)phenyl]hexa-2,4-dienamide?
The InChIKey is BBUSQBKQFKLCQR-DSXPNFDZSA-N. The full InChI is InChI=1S/C19H17N3O/c1-2-3-4-9-19(23)21-15-10-12-16(13-11-15)22-14-20-17-7-5-6-8-18(17)22/h2-14H,1H3,(H,21,23)/b3-2+,9-4+.
What are the key properties of (2E,4E)-N-[4-(benzimidazol-1-yl)phenyl]hexa-2,4-dienamide?
(2E,4E)-N-[4-(benzimidazol-1-yl)phenyl]hexa-2,4-dienamide has a molecular weight of 303.37 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[4-(benzimidazol-1-yl)phenyl]hexa-2,4-dienamide is sourced from PubChem (CID 75413355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).