2-[(Z)-heptadec-8-enyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole

C24H44N2 — CID 42604382

IUPAC2-[(Z)-heptadec-8-enyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
SMILESCCCCCCCC/C=C\CCCCCCCC1=NC2CCCCC2N1
InChIInChI=1S/C24H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24-25-22-19-17-18-20-23(22)26-24/h9-10,22-23H,2-8,11-21H2,1H3,(H,25,26)/b10-9-
InChIKeyZPKMQBYMIVXXEX-KTKRTIGZSA-N
MW360.63 g/mol
LogP7.34
Rot. Bonds15

About 2-[(Z)-heptadec-8-enyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole

2-[(Z)-heptadec-8-enyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole (PubChem CID 42604382) has the molecular formula C24H44N2 and a molecular weight of 360.63 g/mol. Its IUPAC name is 2-[(Z)-heptadec-8-enyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole.

Molecular Properties

Compound Name2-[(Z)-heptadec-8-enyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
PubChem CID42604382
Molecular FormulaC24H44N2
Molecular Weight360.63 g/mol
Exact Mass360.35
IUPAC Name2-[(Z)-heptadec-8-enyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
SMILESCCCCCCCC/C=C\CCCCCCCC1=NC2CCCCC2N1
InChIInChI=1S/C24H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24-25-22-19-17-18-20-23(22)26-24/h9-10,22-23H,2-8,11-21H2,1H3,(H,25,26)/b10-9-
InChIKeyZPKMQBYMIVXXEX-KTKRTIGZSA-N
XLogP7.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 66957865
3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylmethanethiol
CID 18928573
(Z)-tricos-11-ene
CID 5356790
(Z)-docos-9-ene
CID 11690102
(E)-hexadec-6-ene
CID 5352260
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-heptacos-11-ene
CID 56936074
tetratriacont-8-ene
CID 123670593

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-heptadec-8-enyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole?
The IUPAC name of 2-[(Z)-heptadec-8-enyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole (CID 42604382) is 2-[(Z)-heptadec-8-enyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole.
What is the SMILES notation for 2-[(Z)-heptadec-8-enyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole?
The canonical SMILES for 2-[(Z)-heptadec-8-enyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole is CCCCCCCC/C=C\CCCCCCCC1=NC2CCCCC2N1.
What is the InChIKey of 2-[(Z)-heptadec-8-enyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole?
The InChIKey is ZPKMQBYMIVXXEX-KTKRTIGZSA-N. The full InChI is InChI=1S/C24H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24-25-22-19-17-18-20-23(22)26-24/h9-10,22-23H,2-8,11-21H2,1H3,(H,25,26)/b10-9-.
What are the key properties of 2-[(Z)-heptadec-8-enyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole?
2-[(Z)-heptadec-8-enyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole has a molecular weight of 360.63 g/mol, XLogP of 7.34, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-heptadec-8-enyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole is sourced from PubChem (CID 42604382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).