1-(2,5-dimethyl-3,6-dihydrobenzimidazol-5-yl)-4-ethenylpyrazol-5-amine

C14H17N5 — CID 134239844

IUPAC1-(2,5-dimethyl-3,6-dihydrobenzimidazol-5-yl)-4-ethenylpyrazol-5-amine
SMILESC=Cc1cnn(C2(C)C=c3[nH]c(C)nc3=CC2)c1N
InChIInChI=1S/C14H17N5/c1-4-10-8-16-19(13(10)15)14(3)6-5-11-12(7-14)18-9(2)17-11/h4-5,7-8H,1,6,15H2,2-3H3,(H,17,18)
InChIKeyFMATYDBEWRBLHD-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.52
Rot. Bonds2

About 1-(2,5-dimethyl-3,6-dihydrobenzimidazol-5-yl)-4-ethenylpyrazol-5-amine

1-(2,5-dimethyl-3,6-dihydrobenzimidazol-5-yl)-4-ethenylpyrazol-5-amine (PubChem CID 134239844) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(2,5-dimethyl-3,6-dihydrobenzimidazol-5-yl)-4-ethenylpyrazol-5-amine.

Molecular Properties

Compound Name1-(2,5-dimethyl-3,6-dihydrobenzimidazol-5-yl)-4-ethenylpyrazol-5-amine
PubChem CID134239844
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name1-(2,5-dimethyl-3,6-dihydrobenzimidazol-5-yl)-4-ethenylpyrazol-5-amine
SMILESC=Cc1cnn(C2(C)C=c3[nH]c(C)nc3=CC2)c1N
InChIInChI=1S/C14H17N5/c1-4-10-8-16-19(13(10)15)14(3)6-5-11-12(7-14)18-9(2)17-11/h4-5,7-8H,1,6,15H2,2-3H3,(H,17,18)
InChIKeyFMATYDBEWRBLHD-UHFFFAOYSA-N
XLogP0.52
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-3,6-dihydrobenzimidazol-5-yl)-4-ethenylpyrazol-5-amine?
The IUPAC name of 1-(2,5-dimethyl-3,6-dihydrobenzimidazol-5-yl)-4-ethenylpyrazol-5-amine (CID 134239844) is 1-(2,5-dimethyl-3,6-dihydrobenzimidazol-5-yl)-4-ethenylpyrazol-5-amine.
What is the SMILES notation for 1-(2,5-dimethyl-3,6-dihydrobenzimidazol-5-yl)-4-ethenylpyrazol-5-amine?
The canonical SMILES for 1-(2,5-dimethyl-3,6-dihydrobenzimidazol-5-yl)-4-ethenylpyrazol-5-amine is C=Cc1cnn(C2(C)C=c3[nH]c(C)nc3=CC2)c1N.
What is the InChIKey of 1-(2,5-dimethyl-3,6-dihydrobenzimidazol-5-yl)-4-ethenylpyrazol-5-amine?
The InChIKey is FMATYDBEWRBLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-4-10-8-16-19(13(10)15)14(3)6-5-11-12(7-14)18-9(2)17-11/h4-5,7-8H,1,6,15H2,2-3H3,(H,17,18).
What are the key properties of 1-(2,5-dimethyl-3,6-dihydrobenzimidazol-5-yl)-4-ethenylpyrazol-5-amine?
1-(2,5-dimethyl-3,6-dihydrobenzimidazol-5-yl)-4-ethenylpyrazol-5-amine has a molecular weight of 255.32 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-3,6-dihydrobenzimidazol-5-yl)-4-ethenylpyrazol-5-amine is sourced from PubChem (CID 134239844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).