(2E,4E)-N-(1-propylbenzimidazol-2-yl)hexa-2,4-dienamide

C16H19N3O — CID 38011370

IUPAC(2E,4E)-N-(1-propylbenzimidazol-2-yl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1nc2ccccc2n1CCC
InChIInChI=1S/C16H19N3O/c1-3-5-6-11-15(20)18-16-17-13-9-7-8-10-14(13)19(16)12-4-2/h3,5-11H,4,12H2,1-2H3,(H,17,18,20)/b5-3+,11-6+
InChIKeyOTXXINUMPKTYBH-JFDBYLHYSA-N
MW269.35 g/mol
LogP3.52
Rot. Bonds5

About (2E,4E)-N-(1-propylbenzimidazol-2-yl)hexa-2,4-dienamide

(2E,4E)-N-(1-propylbenzimidazol-2-yl)hexa-2,4-dienamide (PubChem CID 38011370) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (2E,4E)-N-(1-propylbenzimidazol-2-yl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(1-propylbenzimidazol-2-yl)hexa-2,4-dienamide
PubChem CID38011370
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(2E,4E)-N-(1-propylbenzimidazol-2-yl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1nc2ccccc2n1CCC
InChIInChI=1S/C16H19N3O/c1-3-5-6-11-15(20)18-16-17-13-9-7-8-10-14(13)19(16)12-4-2/h3,5-11H,4,12H2,1-2H3,(H,17,18,20)/b5-3+,11-6+
InChIKeyOTXXINUMPKTYBH-JFDBYLHYSA-N
XLogP3.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.52
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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Related Compounds

(E)-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 8914471
N-(1-propylbenzimidazol-2-yl)nonanamide
CID 162645010
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide
CID 35280168
2-amino-3-methyl-N-(1-propylbenzimidazol-2-yl)butanamide
CID 119265100
2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119179377
2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 40589359
1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 35535185
1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide
CID 4879642
2-(2-oxoquinoxalin-1-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 16585553
N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119265083
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 4800861

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(1-propylbenzimidazol-2-yl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(1-propylbenzimidazol-2-yl)hexa-2,4-dienamide (CID 38011370) is (2E,4E)-N-(1-propylbenzimidazol-2-yl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(1-propylbenzimidazol-2-yl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(1-propylbenzimidazol-2-yl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1nc2ccccc2n1CCC.
What is the InChIKey of (2E,4E)-N-(1-propylbenzimidazol-2-yl)hexa-2,4-dienamide?
The InChIKey is OTXXINUMPKTYBH-JFDBYLHYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-5-6-11-15(20)18-16-17-13-9-7-8-10-14(13)19(16)12-4-2/h3,5-11H,4,12H2,1-2H3,(H,17,18,20)/b5-3+,11-6+.
What are the key properties of (2E,4E)-N-(1-propylbenzimidazol-2-yl)hexa-2,4-dienamide?
(2E,4E)-N-(1-propylbenzimidazol-2-yl)hexa-2,4-dienamide has a molecular weight of 269.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(1-propylbenzimidazol-2-yl)hexa-2,4-dienamide is sourced from PubChem (CID 38011370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).