1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-phenylbenzimidazole

C20H18N2 — CID 134447803

IUPAC1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-phenylbenzimidazole
SMILESC=C/C=C(\C=C/C)n1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C20H18N2/c1-3-10-17(11-4-2)22-19-15-9-8-14-18(19)21-20(22)16-12-6-5-7-13-16/h3-15H,1H2,2H3/b11-4-,17-10+
InChIKeyJYDNHKPMSZHBCO-XANQEJEYSA-N
MW286.38 g/mol
LogP5.31
Rot. Bonds4

About 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-phenylbenzimidazole

1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-phenylbenzimidazole (PubChem CID 134447803) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-phenylbenzimidazole
PubChem CID134447803
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC Name1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-phenylbenzimidazole
SMILESC=C/C=C(\C=C/C)n1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C20H18N2/c1-3-10-17(11-4-2)22-19-15-9-8-14-18(19)21-20(22)16-12-6-5-7-13-16/h3-15H,1H2,2H3/b11-4-,17-10+
InChIKeyJYDNHKPMSZHBCO-XANQEJEYSA-N
XLogP5.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.38
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hepta-1,3,5-trien-4-yl-2-[2-(1-hepta-1,3,5-trien-4-ylbenzimidazol-2-yl)-4,6,6,12,12-pentamethylindeno[1,2-b]fluoren-8-yl]benzimidazole
CID 123672948
2-phenyl-1-(1-phenylethenyl)benzimidazole
CID 15370505
9-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-8-phenylpurine
CID 154648335
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzimidazole
CID 155323560
(1E,3Z)-1-(5-methyl-2-phenylbenzimidazol-1-yl)hexa-1,3,5-trien-1-amine
CID 89086835
4-oxo-4-(2-phenylbenzimidazol-1-yl)butanoic acid
CID 5063672
3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 142321916
[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylcarbazol-3-yl]-diphenylborane
CID 144597046
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-[(3E,5Z)-hepta-3,5-dien-1-yn-4-yl]benzimidazole
CID 138528965
4-bromo-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole
CID 146535446
14-[4-[1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzimidazol-2-yl]phenyl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene
CID 144508272
1-hydroxy-2-phenylbenzimidazole
CID 606555

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-phenylbenzimidazole?
The IUPAC name of 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-phenylbenzimidazole (CID 134447803) is 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-phenylbenzimidazole is C=C/C=C(\C=C/C)n1c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-phenylbenzimidazole?
The InChIKey is JYDNHKPMSZHBCO-XANQEJEYSA-N. The full InChI is InChI=1S/C20H18N2/c1-3-10-17(11-4-2)22-19-15-9-8-14-18(19)21-20(22)16-12-6-5-7-13-16/h3-15H,1H2,2H3/b11-4-,17-10+.
What are the key properties of 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-phenylbenzimidazole?
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-phenylbenzimidazole has a molecular weight of 286.38 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-phenylbenzimidazole is sourced from PubChem (CID 134447803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).