1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole

C12H14N4O — CID 57398883

IUPAC1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole
SMILESCOc1cccc2c1cnn2CC1=NCCN1
InChIInChI=1S/C12H14N4O/c1-17-11-4-2-3-10-9(11)7-15-16(10)8-12-13-5-6-14-12/h2-4,7H,5-6,8H2,1H3,(H,13,14)
InChIKeyVVFJKYYGJOCOJS-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.05
Rot. Bonds3

About 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole

1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole (PubChem CID 57398883) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole
PubChem CID57398883
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole
SMILESCOc1cccc2c1cnn2CC1=NCCN1
InChIInChI=1S/C12H14N4O/c1-17-11-4-2-3-10-9(11)7-15-16(10)8-12-13-5-6-14-12/h2-4,7H,5-6,8H2,1H3,(H,13,14)
InChIKeyVVFJKYYGJOCOJS-UHFFFAOYSA-N
XLogP1.05
TPSA51.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole 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 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole (CID 57398883) is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole is COc1cccc2c1cnn2CC1=NCCN1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole?
The InChIKey is VVFJKYYGJOCOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-17-11-4-2-3-10-9(11)7-15-16(10)8-12-13-5-6-14-12/h2-4,7H,5-6,8H2,1H3,(H,13,14).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole?
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole has a molecular weight of 230.27 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole is sourced from PubChem (CID 57398883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).