2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide

C16H20N4O — CID 11437586

IUPAC2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1(C)C=C(c2nc3c(C(N)=O)cccc3[nH]2)C(C)(C)N1
InChIInChI=1S/C16H20N4O/c1-15(2)8-10(16(3,4)20-15)14-18-11-7-5-6-9(13(17)21)12(11)19-14/h5-8,20H,1-4H3,(H2,17,21)(H,18,19)
InChIKeyVWCGEOSDLJAFAX-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.21
Rot. Bonds2

About 2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide

2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 11437586) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide
PubChem CID11437586
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1(C)C=C(c2nc3c(C(N)=O)cccc3[nH]2)C(C)(C)N1
InChIInChI=1S/C16H20N4O/c1-15(2)8-10(16(3,4)20-15)14-18-11-7-5-6-9(13(17)21)12(11)19-14/h5-8,20H,1-4H3,(H2,17,21)(H,18,19)
InChIKeyVWCGEOSDLJAFAX-UHFFFAOYSA-N
XLogP2.21
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide (CID 11437586) is 2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide is CC1(C)C=C(c2nc3c(C(N)=O)cccc3[nH]2)C(C)(C)N1.
What is the InChIKey of 2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is VWCGEOSDLJAFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-15(2)8-10(16(3,4)20-15)14-18-11-7-5-6-9(13(17)21)12(11)19-14/h5-8,20H,1-4H3,(H2,17,21)(H,18,19).
What are the key properties of 2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide?
2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11437586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).