9-methyl-3-[(2-methylimidazol-1-yl)methyl]carbazol-4-ol

C18H17N3O — CID 155294458

IUPAC9-methyl-3-[(2-methylimidazol-1-yl)methyl]carbazol-4-ol
SMILESCc1nccn1Cc1ccc2c(c1O)c1ccccc1n2C
InChIInChI=1S/C18H17N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-10,22H,11H2,1-2H3
InChIKeyJTUDXJXLKPAEDI-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.59
Rot. Bonds2

About 9-methyl-3-[(2-methylimidazol-1-yl)methyl]carbazol-4-ol

9-methyl-3-[(2-methylimidazol-1-yl)methyl]carbazol-4-ol (PubChem CID 155294458) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 9-methyl-3-[(2-methylimidazol-1-yl)methyl]carbazol-4-ol.

Molecular Properties

Compound Name9-methyl-3-[(2-methylimidazol-1-yl)methyl]carbazol-4-ol
PubChem CID155294458
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name9-methyl-3-[(2-methylimidazol-1-yl)methyl]carbazol-4-ol
SMILESCc1nccn1Cc1ccc2c(c1O)c1ccccc1n2C
InChIInChI=1S/C18H17N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-10,22H,11H2,1-2H3
InChIKeyJTUDXJXLKPAEDI-UHFFFAOYSA-N
XLogP3.59
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[(2-methylimidazol-1-yl)methyl]carbazol-4-ol?
The IUPAC name of 9-methyl-3-[(2-methylimidazol-1-yl)methyl]carbazol-4-ol (CID 155294458) is 9-methyl-3-[(2-methylimidazol-1-yl)methyl]carbazol-4-ol.
What is the SMILES notation for 9-methyl-3-[(2-methylimidazol-1-yl)methyl]carbazol-4-ol?
The canonical SMILES for 9-methyl-3-[(2-methylimidazol-1-yl)methyl]carbazol-4-ol is Cc1nccn1Cc1ccc2c(c1O)c1ccccc1n2C.
What is the InChIKey of 9-methyl-3-[(2-methylimidazol-1-yl)methyl]carbazol-4-ol?
The InChIKey is JTUDXJXLKPAEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-10,22H,11H2,1-2H3.
What are the key properties of 9-methyl-3-[(2-methylimidazol-1-yl)methyl]carbazol-4-ol?
9-methyl-3-[(2-methylimidazol-1-yl)methyl]carbazol-4-ol has a molecular weight of 291.35 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[(2-methylimidazol-1-yl)methyl]carbazol-4-ol is sourced from PubChem (CID 155294458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).