2-(1-acetyl-2,2,5,5-tetramethylpyrrol-3-yl)-1H-benzimidazole-4-carboxamide

C18H22N4O2 — CID 11450219

IUPAC2-(1-acetyl-2,2,5,5-tetramethylpyrrol-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(=O)N1C(C)(C)C=C(c2nc3c(C(N)=O)cccc3[nH]2)C1(C)C
InChIInChI=1S/C18H22N4O2/c1-10(23)22-17(2,3)9-12(18(22,4)5)16-20-13-8-6-7-11(15(19)24)14(13)21-16/h6-9H,1-5H3,(H2,19,24)(H,20,21)
InChIKeyGYVADBXURCXHMJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.46
Rot. Bonds2

About 2-(1-acetyl-2,2,5,5-tetramethylpyrrol-3-yl)-1H-benzimidazole-4-carboxamide

2-(1-acetyl-2,2,5,5-tetramethylpyrrol-3-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 11450219) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(1-acetyl-2,2,5,5-tetramethylpyrrol-3-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-acetyl-2,2,5,5-tetramethylpyrrol-3-yl)-1H-benzimidazole-4-carboxamide
PubChem CID11450219
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-(1-acetyl-2,2,5,5-tetramethylpyrrol-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(=O)N1C(C)(C)C=C(c2nc3c(C(N)=O)cccc3[nH]2)C1(C)C
InChIInChI=1S/C18H22N4O2/c1-10(23)22-17(2,3)9-12(18(22,4)5)16-20-13-8-6-7-11(15(19)24)14(13)21-16/h6-9H,1-5H3,(H2,19,24)(H,20,21)
InChIKeyGYVADBXURCXHMJ-UHFFFAOYSA-N
XLogP2.46
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyl-2,2,5,5-tetramethylpyrrol-3-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(1-acetyl-2,2,5,5-tetramethylpyrrol-3-yl)-1H-benzimidazole-4-carboxamide (CID 11450219) is 2-(1-acetyl-2,2,5,5-tetramethylpyrrol-3-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(1-acetyl-2,2,5,5-tetramethylpyrrol-3-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(1-acetyl-2,2,5,5-tetramethylpyrrol-3-yl)-1H-benzimidazole-4-carboxamide is CC(=O)N1C(C)(C)C=C(c2nc3c(C(N)=O)cccc3[nH]2)C1(C)C.
What is the InChIKey of 2-(1-acetyl-2,2,5,5-tetramethylpyrrol-3-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is GYVADBXURCXHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-10(23)22-17(2,3)9-12(18(22,4)5)16-20-13-8-6-7-11(15(19)24)14(13)21-16/h6-9H,1-5H3,(H2,19,24)(H,20,21).
What are the key properties of 2-(1-acetyl-2,2,5,5-tetramethylpyrrol-3-yl)-1H-benzimidazole-4-carboxamide?
2-(1-acetyl-2,2,5,5-tetramethylpyrrol-3-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyl-2,2,5,5-tetramethylpyrrol-3-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11450219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).