5-methyl-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine

C13H15N5 — CID 54951144

IUPAC5-methyl-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2CCn1cccn1
InChIInChI=1S/C13H15N5/c1-10-3-4-12-11(9-10)16-13(14)18(12)8-7-17-6-2-5-15-17/h2-6,9H,7-8H2,1H3,(H2,14,16)
InChIKeyGFONAFJNGJCEPZ-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.82
Rot. Bonds3

About 5-methyl-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine

5-methyl-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine (PubChem CID 54951144) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 5-methyl-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-methyl-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine
PubChem CID54951144
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name5-methyl-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2CCn1cccn1
InChIInChI=1S/C13H15N5/c1-10-3-4-12-11(9-10)16-13(14)18(12)8-7-17-6-2-5-15-17/h2-6,9H,7-8H2,1H3,(H2,14,16)
InChIKeyGFONAFJNGJCEPZ-UHFFFAOYSA-N
XLogP1.82
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine?
The IUPAC name of 5-methyl-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine (CID 54951144) is 5-methyl-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for 5-methyl-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine?
The canonical SMILES for 5-methyl-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine is Cc1ccc2c(c1)nc(N)n2CCn1cccn1.
What is the InChIKey of 5-methyl-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine?
The InChIKey is GFONAFJNGJCEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-10-3-4-12-11(9-10)16-13(14)18(12)8-7-17-6-2-5-15-17/h2-6,9H,7-8H2,1H3,(H2,14,16).
What are the key properties of 5-methyl-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine?
5-methyl-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine has a molecular weight of 241.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 54951144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).