1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzimidazol-2-amine

C14H17N5 — CID 103868131

IUPAC1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzimidazol-2-amine
SMILESCc1cnn(CCNc2nc3ccccc3n2C)c1
InChIInChI=1S/C14H17N5/c1-11-9-16-19(10-11)8-7-15-14-17-12-5-3-4-6-13(12)18(14)2/h3-6,9-10H,7-8H2,1-2H3,(H,15,17)
InChIKeyGYGQHZYHCPJGPU-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.19
Rot. Bonds4

About 1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzimidazol-2-amine

1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzimidazol-2-amine (PubChem CID 103868131) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzimidazol-2-amine
PubChem CID103868131
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC Name1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzimidazol-2-amine
SMILESCc1cnn(CCNc2nc3ccccc3n2C)c1
InChIInChI=1S/C14H17N5/c1-11-9-16-19(10-11)8-7-15-14-17-12-5-3-4-6-13(12)18(14)2/h3-6,9-10H,7-8H2,1-2H3,(H,15,17)
InChIKeyGYGQHZYHCPJGPU-UHFFFAOYSA-N
XLogP2.19
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzimidazol-2-amine (CID 103868131) is 1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzimidazol-2-amine is Cc1cnn(CCNc2nc3ccccc3n2C)c1.
What is the InChIKey of 1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzimidazol-2-amine?
The InChIKey is GYGQHZYHCPJGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-11-9-16-19(10-11)8-7-15-14-17-12-5-3-4-6-13(12)18(14)2/h3-6,9-10H,7-8H2,1-2H3,(H,15,17).
What are the key properties of 1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzimidazol-2-amine?
1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzimidazol-2-amine has a molecular weight of 255.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 103868131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).