(5-amino-3-methylpyrazol-1-yl)-(3H-benzimidazol-5-yl)methanone

C12H11N5O — CID 110463322

IUPAC(5-amino-3-methylpyrazol-1-yl)-(3H-benzimidazol-5-yl)methanone
SMILESCc1cc(N)n(C(=O)c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C12H11N5O/c1-7-4-11(13)17(16-7)12(18)8-2-3-9-10(5-8)15-6-14-9/h2-6H,13H2,1H3,(H,14,15)
InChIKeyZNQYLJGIJBHGMT-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.34
Rot. Bonds1

About (5-amino-3-methylpyrazol-1-yl)-(3H-benzimidazol-5-yl)methanone

(5-amino-3-methylpyrazol-1-yl)-(3H-benzimidazol-5-yl)methanone (PubChem CID 110463322) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is (5-amino-3-methylpyrazol-1-yl)-(3H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Name(5-amino-3-methylpyrazol-1-yl)-(3H-benzimidazol-5-yl)methanone
PubChem CID110463322
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name(5-amino-3-methylpyrazol-1-yl)-(3H-benzimidazol-5-yl)methanone
SMILESCc1cc(N)n(C(=O)c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C12H11N5O/c1-7-4-11(13)17(16-7)12(18)8-2-3-9-10(5-8)15-6-14-9/h2-6H,13H2,1H3,(H,14,15)
InChIKeyZNQYLJGIJBHGMT-UHFFFAOYSA-N
XLogP1.34
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3-methylpyrazol-1-yl)-(3H-benzimidazol-5-yl)methanone?
The IUPAC name of (5-amino-3-methylpyrazol-1-yl)-(3H-benzimidazol-5-yl)methanone (CID 110463322) is (5-amino-3-methylpyrazol-1-yl)-(3H-benzimidazol-5-yl)methanone.
What is the SMILES notation for (5-amino-3-methylpyrazol-1-yl)-(3H-benzimidazol-5-yl)methanone?
The canonical SMILES for (5-amino-3-methylpyrazol-1-yl)-(3H-benzimidazol-5-yl)methanone is Cc1cc(N)n(C(=O)c2ccc3nc[nH]c3c2)n1.
What is the InChIKey of (5-amino-3-methylpyrazol-1-yl)-(3H-benzimidazol-5-yl)methanone?
The InChIKey is ZNQYLJGIJBHGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-7-4-11(13)17(16-7)12(18)8-2-3-9-10(5-8)15-6-14-9/h2-6H,13H2,1H3,(H,14,15).
What are the key properties of (5-amino-3-methylpyrazol-1-yl)-(3H-benzimidazol-5-yl)methanone?
(5-amino-3-methylpyrazol-1-yl)-(3H-benzimidazol-5-yl)methanone has a molecular weight of 241.25 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-methylpyrazol-1-yl)-(3H-benzimidazol-5-yl)methanone is sourced from PubChem (CID 110463322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).