1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide

C15H16N6O2 — CID 151872269

IUPAC1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nn1cnc2cc(C(N)=O)ccc21
InChIInChI=1S/C15H16N6O2/c1-3-20-13(6-9(2)18-20)15(23)19-21-8-17-11-7-10(14(16)22)4-5-12(11)21/h4-8H,3H2,1-2H3,(H2,16,22)(H,19,23)
InChIKeySMYCUHARHGMWHT-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.04
Rot. Bonds4

About 1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide

1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide (PubChem CID 151872269) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide
PubChem CID151872269
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nn1cnc2cc(C(N)=O)ccc21
InChIInChI=1S/C15H16N6O2/c1-3-20-13(6-9(2)18-20)15(23)19-21-8-17-11-7-10(14(16)22)4-5-12(11)21/h4-8H,3H2,1-2H3,(H2,16,22)(H,19,23)
InChIKeySMYCUHARHGMWHT-UHFFFAOYSA-N
XLogP1.04
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide?
The IUPAC name of 1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide (CID 151872269) is 1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide?
The canonical SMILES for 1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide is CCn1nc(C)cc1C(=O)Nn1cnc2cc(C(N)=O)ccc21.
What is the InChIKey of 1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide?
The InChIKey is SMYCUHARHGMWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-3-20-13(6-9(2)18-20)15(23)19-21-8-17-11-7-10(14(16)22)4-5-12(11)21/h4-8H,3H2,1-2H3,(H2,16,22)(H,19,23).
What are the key properties of 1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide?
1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide is sourced from PubChem (CID 151872269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).