4-[2-[(3-ethenylindazol-1-yl)methyl]-5-methylbenzimidazol-1-yl]butan-1-ol

C22H24N4O — CID 91542995

IUPAC4-[2-[(3-ethenylindazol-1-yl)methyl]-5-methylbenzimidazol-1-yl]butan-1-ol
SMILESC=Cc1nn(Cc2nc3cc(C)ccc3n2CCCCO)c2ccccc12
InChIInChI=1S/C22H24N4O/c1-3-18-17-8-4-5-9-20(17)26(24-18)15-22-23-19-14-16(2)10-11-21(19)25(22)12-6-7-13-27/h3-5,8-11,14,27H,1,6-7,12-13,15H2,2H3
InChIKeyQAWFZYCHOSLDOK-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.16
Rot. Bonds7

About 4-[2-[(3-ethenylindazol-1-yl)methyl]-5-methylbenzimidazol-1-yl]butan-1-ol

4-[2-[(3-ethenylindazol-1-yl)methyl]-5-methylbenzimidazol-1-yl]butan-1-ol (PubChem CID 91542995) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[2-[(3-ethenylindazol-1-yl)methyl]-5-methylbenzimidazol-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[2-[(3-ethenylindazol-1-yl)methyl]-5-methylbenzimidazol-1-yl]butan-1-ol
PubChem CID91542995
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name4-[2-[(3-ethenylindazol-1-yl)methyl]-5-methylbenzimidazol-1-yl]butan-1-ol
SMILESC=Cc1nn(Cc2nc3cc(C)ccc3n2CCCCO)c2ccccc12
InChIInChI=1S/C22H24N4O/c1-3-18-17-8-4-5-9-20(17)26(24-18)15-22-23-19-14-16(2)10-11-21(19)25(22)12-6-7-13-27/h3-5,8-11,14,27H,1,6-7,12-13,15H2,2H3
InChIKeyQAWFZYCHOSLDOK-UHFFFAOYSA-N
XLogP4.16
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-ethenylindazol-1-yl)methyl]-5-methylbenzimidazol-1-yl]butan-1-ol?
The IUPAC name of 4-[2-[(3-ethenylindazol-1-yl)methyl]-5-methylbenzimidazol-1-yl]butan-1-ol (CID 91542995) is 4-[2-[(3-ethenylindazol-1-yl)methyl]-5-methylbenzimidazol-1-yl]butan-1-ol.
What is the SMILES notation for 4-[2-[(3-ethenylindazol-1-yl)methyl]-5-methylbenzimidazol-1-yl]butan-1-ol?
The canonical SMILES for 4-[2-[(3-ethenylindazol-1-yl)methyl]-5-methylbenzimidazol-1-yl]butan-1-ol is C=Cc1nn(Cc2nc3cc(C)ccc3n2CCCCO)c2ccccc12.
What is the InChIKey of 4-[2-[(3-ethenylindazol-1-yl)methyl]-5-methylbenzimidazol-1-yl]butan-1-ol?
The InChIKey is QAWFZYCHOSLDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-3-18-17-8-4-5-9-20(17)26(24-18)15-22-23-19-14-16(2)10-11-21(19)25(22)12-6-7-13-27/h3-5,8-11,14,27H,1,6-7,12-13,15H2,2H3.
What are the key properties of 4-[2-[(3-ethenylindazol-1-yl)methyl]-5-methylbenzimidazol-1-yl]butan-1-ol?
4-[2-[(3-ethenylindazol-1-yl)methyl]-5-methylbenzimidazol-1-yl]butan-1-ol has a molecular weight of 360.46 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-ethenylindazol-1-yl)methyl]-5-methylbenzimidazol-1-yl]butan-1-ol is sourced from PubChem (CID 91542995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).