5,6-dimethyl-2-piperidin-2-yl-1H-benzimidazole

C14H19N3 — CID 62336920

IUPAC5,6-dimethyl-2-piperidin-2-yl-1H-benzimidazole
SMILESCc1cc2nc(C3CCCCN3)[nH]c2cc1C
InChIInChI=1S/C14H19N3/c1-9-7-12-13(8-10(9)2)17-14(16-12)11-5-3-4-6-15-11/h7-8,11,15H,3-6H2,1-2H3,(H,16,17)
InChIKeyOLJUDLNAVHCGFY-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.99
Rot. Bonds1

About 5,6-dimethyl-2-piperidin-2-yl-1H-benzimidazole

5,6-dimethyl-2-piperidin-2-yl-1H-benzimidazole (PubChem CID 62336920) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 5,6-dimethyl-2-piperidin-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-2-piperidin-2-yl-1H-benzimidazole
PubChem CID62336920
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name5,6-dimethyl-2-piperidin-2-yl-1H-benzimidazole
SMILESCc1cc2nc(C3CCCCN3)[nH]c2cc1C
InChIInChI=1S/C14H19N3/c1-9-7-12-13(8-10(9)2)17-14(16-12)11-5-3-4-6-15-11/h7-8,11,15H,3-6H2,1-2H3,(H,16,17)
InChIKeyOLJUDLNAVHCGFY-UHFFFAOYSA-N
XLogP2.99
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-6-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 83857633
6-[2-(4-methylphenyl)ethynyl]-2-pyrrolidin-2-yl-1H-benzimidazole
CID 144601474
2-(azocan-2-yl)-4-methyl-1H-benzimidazole
CID 114239782
6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 83857632
2-[(2S)-pyrrolidin-2-yl]-6-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazole
CID 59236993
2-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclopentan-1-amine
CID 64814123
2-(5,6-dimethyl-1H-benzimidazol-2-yl)thiane 1,1-dioxide
CID 104520297
6-[1-methyl-5-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-2-pyrrolidin-2-yl-1H-benzimidazole
CID 68575123
4,5-dimethyl-2-pyrrolidin-2-yl-1H-benzimidazole
CID 25219064
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 62336192
4-methyl-6-[4-(7-methyl-2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenyl]-2-pyrrolidin-2-yl-1H-benzimidazole
CID 77279480
4-methyl-6-[4-[7-methyl-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 67107027

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-piperidin-2-yl-1H-benzimidazole?
The IUPAC name of 5,6-dimethyl-2-piperidin-2-yl-1H-benzimidazole (CID 62336920) is 5,6-dimethyl-2-piperidin-2-yl-1H-benzimidazole.
What is the SMILES notation for 5,6-dimethyl-2-piperidin-2-yl-1H-benzimidazole?
The canonical SMILES for 5,6-dimethyl-2-piperidin-2-yl-1H-benzimidazole is Cc1cc2nc(C3CCCCN3)[nH]c2cc1C.
What is the InChIKey of 5,6-dimethyl-2-piperidin-2-yl-1H-benzimidazole?
The InChIKey is OLJUDLNAVHCGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-9-7-12-13(8-10(9)2)17-14(16-12)11-5-3-4-6-15-11/h7-8,11,15H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 5,6-dimethyl-2-piperidin-2-yl-1H-benzimidazole?
5,6-dimethyl-2-piperidin-2-yl-1H-benzimidazole has a molecular weight of 229.33 g/mol, XLogP of 2.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-piperidin-2-yl-1H-benzimidazole is sourced from PubChem (CID 62336920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).