2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole

C16H21N3 — CID 25257213

IUPAC2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole
SMILESCC1(C)C=C(c2nc3ccccc3[nH]2)CC(C)(C)N1
InChIInChI=1S/C16H21N3/c1-15(2)9-11(10-16(3,4)19-15)14-17-12-7-5-6-8-13(12)18-14/h5-9,19H,10H2,1-4H3,(H,17,18)
InChIKeyUTYNWRSOERBUQU-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.50
Rot. Bonds1

About 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole

2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole (PubChem CID 25257213) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole
PubChem CID25257213
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole
SMILESCC1(C)C=C(c2nc3ccccc3[nH]2)CC(C)(C)N1
InChIInChI=1S/C16H21N3/c1-15(2)9-11(10-16(3,4)19-15)14-17-12-7-5-6-8-13(12)18-14/h5-9,19H,10H2,1-4H3,(H,17,18)
InChIKeyUTYNWRSOERBUQU-UHFFFAOYSA-N
XLogP3.50
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.50
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-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole?
The IUPAC name of 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole (CID 25257213) is 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole?
The canonical SMILES for 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole is CC1(C)C=C(c2nc3ccccc3[nH]2)CC(C)(C)N1.
What is the InChIKey of 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole?
The InChIKey is UTYNWRSOERBUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-15(2)9-11(10-16(3,4)19-15)14-17-12-7-5-6-8-13(12)18-14/h5-9,19H,10H2,1-4H3,(H,17,18).
What are the key properties of 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole?
2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole has a molecular weight of 255.36 g/mol, XLogP of 3.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole is sourced from PubChem (CID 25257213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).