(Z,8R)-1-(1H-benzimidazol-2-yl)heptadec-11-en-8-ol

C24H38N2O — CID 42604379

IUPAC(Z,8R)-1-(1H-benzimidazol-2-yl)heptadec-11-en-8-ol
SMILESCCCCC/C=C\CC[C@H](O)CCCCCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C24H38N2O/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/h6,8,14-15,18-19,21,27H,2-5,7,9-13,16-17,20H2,1H3,(H,25,26)/b8-6-/t21-/m0/s1
InChIKeyGESXMQMOMAOGEV-LHFJYWTJSA-N
MW370.58 g/mol
LogP6.72
Rot. Bonds15

About (Z,8R)-1-(1H-benzimidazol-2-yl)heptadec-11-en-8-ol

(Z,8R)-1-(1H-benzimidazol-2-yl)heptadec-11-en-8-ol (PubChem CID 42604379) has the molecular formula C24H38N2O and a molecular weight of 370.58 g/mol. Its IUPAC name is (Z,8R)-1-(1H-benzimidazol-2-yl)heptadec-11-en-8-ol.

Molecular Properties

Compound Name(Z,8R)-1-(1H-benzimidazol-2-yl)heptadec-11-en-8-ol
PubChem CID42604379
Molecular FormulaC24H38N2O
Molecular Weight370.58 g/mol
Exact Mass370.30
IUPAC Name(Z,8R)-1-(1H-benzimidazol-2-yl)heptadec-11-en-8-ol
SMILESCCCCC/C=C\CC[C@H](O)CCCCCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C24H38N2O/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/h6,8,14-15,18-19,21,27H,2-5,7,9-13,16-17,20H2,1H3,(H,25,26)/b8-6-/t21-/m0/s1
InChIKeyGESXMQMOMAOGEV-LHFJYWTJSA-N
XLogP6.72
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 56.72
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'}

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Related Compounds

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2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
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ethyl 5-(1H-benzimidazol-2-yl)-2-sulfanylpentanoate
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CID 96559916
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CID 70879958
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Frequently Asked Questions

What is the IUPAC name of (Z,8R)-1-(1H-benzimidazol-2-yl)heptadec-11-en-8-ol?
The IUPAC name of (Z,8R)-1-(1H-benzimidazol-2-yl)heptadec-11-en-8-ol (CID 42604379) is (Z,8R)-1-(1H-benzimidazol-2-yl)heptadec-11-en-8-ol.
What is the SMILES notation for (Z,8R)-1-(1H-benzimidazol-2-yl)heptadec-11-en-8-ol?
The canonical SMILES for (Z,8R)-1-(1H-benzimidazol-2-yl)heptadec-11-en-8-ol is CCCCC/C=C\CC[C@H](O)CCCCCCCc1nc2ccccc2[nH]1.
What is the InChIKey of (Z,8R)-1-(1H-benzimidazol-2-yl)heptadec-11-en-8-ol?
The InChIKey is GESXMQMOMAOGEV-LHFJYWTJSA-N. The full InChI is InChI=1S/C24H38N2O/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/h6,8,14-15,18-19,21,27H,2-5,7,9-13,16-17,20H2,1H3,(H,25,26)/b8-6-/t21-/m0/s1.
What are the key properties of (Z,8R)-1-(1H-benzimidazol-2-yl)heptadec-11-en-8-ol?
(Z,8R)-1-(1H-benzimidazol-2-yl)heptadec-11-en-8-ol has a molecular weight of 370.58 g/mol, XLogP of 6.72, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,8R)-1-(1H-benzimidazol-2-yl)heptadec-11-en-8-ol is sourced from PubChem (CID 42604379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).