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

C15H18BrN3 — CID 90964262

IUPAC2-(4-bromo-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole
SMILESCC1(C)NC(C)(C)C(c2nc3ccccc3[nH]2)=C1Br
InChIInChI=1S/C15H18BrN3/c1-14(2)11(12(16)15(3,4)19-14)13-17-9-7-5-6-8-10(9)18-13/h5-8,19H,1-4H3,(H,17,18)
InChIKeyNPNHDCKYCIJGCD-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.83
Rot. Bonds1

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

2-(4-bromo-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole (PubChem CID 90964262) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-(4-bromo-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-bromo-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole
PubChem CID90964262
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name2-(4-bromo-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole
SMILESCC1(C)NC(C)(C)C(c2nc3ccccc3[nH]2)=C1Br
InChIInChI=1S/C15H18BrN3/c1-14(2)11(12(16)15(3,4)19-14)13-17-9-7-5-6-8-10(9)18-13/h5-8,19H,1-4H3,(H,17,18)
InChIKeyNPNHDCKYCIJGCD-UHFFFAOYSA-N
XLogP3.83
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole?
The IUPAC name of 2-(4-bromo-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole (CID 90964262) is 2-(4-bromo-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(4-bromo-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole?
The canonical SMILES for 2-(4-bromo-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole is CC1(C)NC(C)(C)C(c2nc3ccccc3[nH]2)=C1Br.
What is the InChIKey of 2-(4-bromo-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole?
The InChIKey is NPNHDCKYCIJGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-14(2)11(12(16)15(3,4)19-14)13-17-9-7-5-6-8-10(9)18-13/h5-8,19H,1-4H3,(H,17,18).
What are the key properties of 2-(4-bromo-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole?
2-(4-bromo-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole has a molecular weight of 320.23 g/mol, XLogP of 3.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole is sourced from PubChem (CID 90964262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).