(Z,8R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)heptadec-11-en-8-ol

C24H42N2O — CID 44582981

IUPAC(Z,8R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)heptadec-11-en-8-ol
SMILESCCCCC/C=C\CC[C@H](O)CCCCCCCc1nc2c([nH]1)CCCC2
InChIInChI=1S/C24H42N2O/c1-2-3-4-5-6-8-11-16-21(27)17-12-9-7-10-13-20-24-25-22-18-14-15-19-23(22)26-24/h6,8,21,27H,2-5,7,9-20H2,1H3,(H,25,26)/b8-6-/t21-/m0/s1
InChIKeyHKNCKNBATZLSET-LHFJYWTJSA-N
MW374.61 g/mol
LogP6.45
Rot. Bonds15

About (Z,8R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)heptadec-11-en-8-ol

(Z,8R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)heptadec-11-en-8-ol (PubChem CID 44582981) has the molecular formula C24H42N2O and a molecular weight of 374.61 g/mol. Its IUPAC name is (Z,8R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)heptadec-11-en-8-ol.

Molecular Properties

Compound Name(Z,8R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)heptadec-11-en-8-ol
PubChem CID44582981
Molecular FormulaC24H42N2O
Molecular Weight374.61 g/mol
Exact Mass374.33
IUPAC Name(Z,8R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)heptadec-11-en-8-ol
SMILESCCCCC/C=C\CC[C@H](O)CCCCCCCc1nc2c([nH]1)CCCC2
InChIInChI=1S/C24H42N2O/c1-2-3-4-5-6-8-11-16-21(27)17-12-9-7-10-13-20-24-25-22-18-14-15-19-23(22)26-24/h6,8,21,27H,2-5,7,9-20H2,1H3,(H,25,26)/b8-6-/t21-/m0/s1
InChIKeyHKNCKNBATZLSET-LHFJYWTJSA-N
XLogP6.45
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,8R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)heptadec-11-en-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z,8R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)heptadec-11-en-8-ol?
The IUPAC name of (Z,8R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)heptadec-11-en-8-ol (CID 44582981) is (Z,8R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)heptadec-11-en-8-ol.
What is the SMILES notation for (Z,8R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)heptadec-11-en-8-ol?
The canonical SMILES for (Z,8R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)heptadec-11-en-8-ol is CCCCC/C=C\CC[C@H](O)CCCCCCCc1nc2c([nH]1)CCCC2.
What is the InChIKey of (Z,8R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)heptadec-11-en-8-ol?
The InChIKey is HKNCKNBATZLSET-LHFJYWTJSA-N. The full InChI is InChI=1S/C24H42N2O/c1-2-3-4-5-6-8-11-16-21(27)17-12-9-7-10-13-20-24-25-22-18-14-15-19-23(22)26-24/h6,8,21,27H,2-5,7,9-20H2,1H3,(H,25,26)/b8-6-/t21-/m0/s1.
What are the key properties of (Z,8R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)heptadec-11-en-8-ol?
(Z,8R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)heptadec-11-en-8-ol has a molecular weight of 374.61 g/mol, XLogP of 6.45, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,8R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)heptadec-11-en-8-ol is sourced from PubChem (CID 44582981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).