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

C22H24N4O — CID 11348947

IUPAC2-(2,2,5,5-tetramethyl-4-phenyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1(C)NC(C)(C)C(c2nc3c(C(N)=O)cccc3[nH]2)=C1c1ccccc1
InChIInChI=1S/C22H24N4O/c1-21(2)16(13-9-6-5-7-10-13)17(22(3,4)26-21)20-24-15-12-8-11-14(19(23)27)18(15)25-20/h5-12,26H,1-4H3,(H2,23,27)(H,24,25)
InChIKeyMHHZAEHHILULSB-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.73
Rot. Bonds3

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

2-(2,2,5,5-tetramethyl-4-phenyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 11348947) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(2,2,5,5-tetramethyl-4-phenyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,2,5,5-tetramethyl-4-phenyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide
PubChem CID11348947
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(2,2,5,5-tetramethyl-4-phenyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1(C)NC(C)(C)C(c2nc3c(C(N)=O)cccc3[nH]2)=C1c1ccccc1
InChIInChI=1S/C22H24N4O/c1-21(2)16(13-9-6-5-7-10-13)17(22(3,4)26-21)20-24-15-12-8-11-14(19(23)27)18(15)25-20/h5-12,26H,1-4H3,(H2,23,27)(H,24,25)
InChIKeyMHHZAEHHILULSB-UHFFFAOYSA-N
XLogP3.73
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.73
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-4-phenyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(2,2,5,5-tetramethyl-4-phenyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide (CID 11348947) is 2-(2,2,5,5-tetramethyl-4-phenyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(2,2,5,5-tetramethyl-4-phenyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(2,2,5,5-tetramethyl-4-phenyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide is CC1(C)NC(C)(C)C(c2nc3c(C(N)=O)cccc3[nH]2)=C1c1ccccc1.
What is the InChIKey of 2-(2,2,5,5-tetramethyl-4-phenyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is MHHZAEHHILULSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-21(2)16(13-9-6-5-7-10-13)17(22(3,4)26-21)20-24-15-12-8-11-14(19(23)27)18(15)25-20/h5-12,26H,1-4H3,(H2,23,27)(H,24,25).
What are the key properties of 2-(2,2,5,5-tetramethyl-4-phenyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide?
2-(2,2,5,5-tetramethyl-4-phenyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.73, 3 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-4-phenyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11348947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).