1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine

C14H17N5 — CID 140801470

IUPAC1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine
SMILESCc1nn(C)c(C)c1Cn1cnc2c(N)cccc21
InChIInChI=1S/C14H17N5/c1-9-11(10(2)18(3)17-9)7-19-8-16-14-12(15)5-4-6-13(14)19/h4-6,8H,7,15H2,1-3H3
InChIKeyJTCRBHUYGHLILN-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.02
Rot. Bonds2

About 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine

1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine (PubChem CID 140801470) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine.

Molecular Properties

Compound Name1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine
PubChem CID140801470
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine
SMILESCc1nn(C)c(C)c1Cn1cnc2c(N)cccc21
InChIInChI=1S/C14H17N5/c1-9-11(10(2)18(3)17-9)7-19-8-16-14-12(15)5-4-6-13(14)19/h4-6,8H,7,15H2,1-3H3
InChIKeyJTCRBHUYGHLILN-UHFFFAOYSA-N
XLogP2.02
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine 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-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine?
The IUPAC name of 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine (CID 140801470) is 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine.
What is the SMILES notation for 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine?
The canonical SMILES for 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine is Cc1nn(C)c(C)c1Cn1cnc2c(N)cccc21.
What is the InChIKey of 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine?
The InChIKey is JTCRBHUYGHLILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-9-11(10(2)18(3)17-9)7-19-8-16-14-12(15)5-4-6-13(14)19/h4-6,8H,7,15H2,1-3H3.
What are the key properties of 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine?
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine has a molecular weight of 255.32 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine is sourced from PubChem (CID 140801470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).