5,6-dimethyl-N-(1H-pyrazol-4-yl)-1H-benzimidazol-2-amine

C12H13N5 — CID 131737655

IUPAC5,6-dimethyl-N-(1H-pyrazol-4-yl)-1H-benzimidazol-2-amine
SMILESCc1cc2nc(Nc3cn[nH]c3)[nH]c2cc1C
InChIInChI=1S/C12H13N5/c1-7-3-10-11(4-8(7)2)17-12(16-10)15-9-5-13-14-6-9/h3-6H,1-2H3,(H,13,14)(H2,15,16,17)
InChIKeyPCSGSIQZXWFEPC-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.65
Rot. Bonds2

About 5,6-dimethyl-N-(1H-pyrazol-4-yl)-1H-benzimidazol-2-amine

5,6-dimethyl-N-(1H-pyrazol-4-yl)-1H-benzimidazol-2-amine (PubChem CID 131737655) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 5,6-dimethyl-N-(1H-pyrazol-4-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(1H-pyrazol-4-yl)-1H-benzimidazol-2-amine
PubChem CID131737655
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name5,6-dimethyl-N-(1H-pyrazol-4-yl)-1H-benzimidazol-2-amine
SMILESCc1cc2nc(Nc3cn[nH]c3)[nH]c2cc1C
InChIInChI=1S/C12H13N5/c1-7-3-10-11(4-8(7)2)17-12(16-10)15-9-5-13-14-6-9/h3-6H,1-2H3,(H,13,14)(H2,15,16,17)
InChIKeyPCSGSIQZXWFEPC-UHFFFAOYSA-N
XLogP2.65
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(1H-pyrazol-4-yl)-1H-benzimidazol-2-amine?
The IUPAC name of 5,6-dimethyl-N-(1H-pyrazol-4-yl)-1H-benzimidazol-2-amine (CID 131737655) is 5,6-dimethyl-N-(1H-pyrazol-4-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 5,6-dimethyl-N-(1H-pyrazol-4-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for 5,6-dimethyl-N-(1H-pyrazol-4-yl)-1H-benzimidazol-2-amine is Cc1cc2nc(Nc3cn[nH]c3)[nH]c2cc1C.
What is the InChIKey of 5,6-dimethyl-N-(1H-pyrazol-4-yl)-1H-benzimidazol-2-amine?
The InChIKey is PCSGSIQZXWFEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-7-3-10-11(4-8(7)2)17-12(16-10)15-9-5-13-14-6-9/h3-6H,1-2H3,(H,13,14)(H2,15,16,17).
What are the key properties of 5,6-dimethyl-N-(1H-pyrazol-4-yl)-1H-benzimidazol-2-amine?
5,6-dimethyl-N-(1H-pyrazol-4-yl)-1H-benzimidazol-2-amine has a molecular weight of 227.27 g/mol, XLogP of 2.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(1H-pyrazol-4-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 131737655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).