2-(1H-benzimidazol-2-yl)-5-methyl-N-phenylpyrazol-3-amine

C17H15N5 — CID 2998938

IUPAC2-(1H-benzimidazol-2-yl)-5-methyl-N-phenylpyrazol-3-amine
SMILESCc1cc(Nc2ccccc2)n(-c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C17H15N5/c1-12-11-16(18-13-7-3-2-4-8-13)22(21-12)17-19-14-9-5-6-10-15(14)20-17/h2-11,18H,1H3,(H,19,20)
InChIKeyOPULBKSGWBRFAG-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.80
Rot. Bonds3

About 2-(1H-benzimidazol-2-yl)-5-methyl-N-phenylpyrazol-3-amine

2-(1H-benzimidazol-2-yl)-5-methyl-N-phenylpyrazol-3-amine (PubChem CID 2998938) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-5-methyl-N-phenylpyrazol-3-amine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-5-methyl-N-phenylpyrazol-3-amine
PubChem CID2998938
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name2-(1H-benzimidazol-2-yl)-5-methyl-N-phenylpyrazol-3-amine
SMILESCc1cc(Nc2ccccc2)n(-c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C17H15N5/c1-12-11-16(18-13-7-3-2-4-8-13)22(21-12)17-19-14-9-5-6-10-15(14)20-17/h2-11,18H,1H3,(H,19,20)
InChIKeyOPULBKSGWBRFAG-UHFFFAOYSA-N
XLogP3.80
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-5-methyl-N-phenylpyrazol-3-amine?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-5-methyl-N-phenylpyrazol-3-amine (CID 2998938) is 2-(1H-benzimidazol-2-yl)-5-methyl-N-phenylpyrazol-3-amine.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-5-methyl-N-phenylpyrazol-3-amine?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-5-methyl-N-phenylpyrazol-3-amine is Cc1cc(Nc2ccccc2)n(-c2nc3ccccc3[nH]2)n1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-5-methyl-N-phenylpyrazol-3-amine?
The InChIKey is OPULBKSGWBRFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-12-11-16(18-13-7-3-2-4-8-13)22(21-12)17-19-14-9-5-6-10-15(14)20-17/h2-11,18H,1H3,(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-yl)-5-methyl-N-phenylpyrazol-3-amine?
2-(1H-benzimidazol-2-yl)-5-methyl-N-phenylpyrazol-3-amine has a molecular weight of 289.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-5-methyl-N-phenylpyrazol-3-amine is sourced from PubChem (CID 2998938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).