4-[5-ethyl-2-[(3-methylindazol-1-yl)methyl]benzimidazol-1-yl]butan-1-ol

C22H26N4O — CID 20814061

IUPAC4-[5-ethyl-2-[(3-methylindazol-1-yl)methyl]benzimidazol-1-yl]butan-1-ol
SMILESCCc1ccc2c(c1)nc(Cn1nc(C)c3ccccc31)n2CCCCO
InChIInChI=1S/C22H26N4O/c1-3-17-10-11-21-19(14-17)23-22(25(21)12-6-7-13-27)15-26-20-9-5-4-8-18(20)16(2)24-26/h4-5,8-11,14,27H,3,6-7,12-13,15H2,1-2H3
InChIKeyYEOCOUACKNQTTJ-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.08
Rot. Bonds7

About 4-[5-ethyl-2-[(3-methylindazol-1-yl)methyl]benzimidazol-1-yl]butan-1-ol

4-[5-ethyl-2-[(3-methylindazol-1-yl)methyl]benzimidazol-1-yl]butan-1-ol (PubChem CID 20814061) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-[5-ethyl-2-[(3-methylindazol-1-yl)methyl]benzimidazol-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[5-ethyl-2-[(3-methylindazol-1-yl)methyl]benzimidazol-1-yl]butan-1-ol
PubChem CID20814061
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name4-[5-ethyl-2-[(3-methylindazol-1-yl)methyl]benzimidazol-1-yl]butan-1-ol
SMILESCCc1ccc2c(c1)nc(Cn1nc(C)c3ccccc31)n2CCCCO
InChIInChI=1S/C22H26N4O/c1-3-17-10-11-21-19(14-17)23-22(25(21)12-6-7-13-27)15-26-20-9-5-4-8-18(20)16(2)24-26/h4-5,8-11,14,27H,3,6-7,12-13,15H2,1-2H3
InChIKeyYEOCOUACKNQTTJ-UHFFFAOYSA-N
XLogP4.08
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.08
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-[5-ethyl-2-[(3-methylindazol-1-yl)methyl]benzimidazol-1-yl]butan-1-ol?
The IUPAC name of 4-[5-ethyl-2-[(3-methylindazol-1-yl)methyl]benzimidazol-1-yl]butan-1-ol (CID 20814061) is 4-[5-ethyl-2-[(3-methylindazol-1-yl)methyl]benzimidazol-1-yl]butan-1-ol.
What is the SMILES notation for 4-[5-ethyl-2-[(3-methylindazol-1-yl)methyl]benzimidazol-1-yl]butan-1-ol?
The canonical SMILES for 4-[5-ethyl-2-[(3-methylindazol-1-yl)methyl]benzimidazol-1-yl]butan-1-ol is CCc1ccc2c(c1)nc(Cn1nc(C)c3ccccc31)n2CCCCO.
What is the InChIKey of 4-[5-ethyl-2-[(3-methylindazol-1-yl)methyl]benzimidazol-1-yl]butan-1-ol?
The InChIKey is YEOCOUACKNQTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-3-17-10-11-21-19(14-17)23-22(25(21)12-6-7-13-27)15-26-20-9-5-4-8-18(20)16(2)24-26/h4-5,8-11,14,27H,3,6-7,12-13,15H2,1-2H3.
What are the key properties of 4-[5-ethyl-2-[(3-methylindazol-1-yl)methyl]benzimidazol-1-yl]butan-1-ol?
4-[5-ethyl-2-[(3-methylindazol-1-yl)methyl]benzimidazol-1-yl]butan-1-ol has a molecular weight of 362.48 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-ethyl-2-[(3-methylindazol-1-yl)methyl]benzimidazol-1-yl]butan-1-ol is sourced from PubChem (CID 20814061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).