5-methyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole

C17H23N3 — CID 82333242

IUPAC5-methyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole
SMILESC=C(C)Cn1c(C2CCNCC2)nc2cc(C)ccc21
InChIInChI=1S/C17H23N3/c1-12(2)11-20-16-5-4-13(3)10-15(16)19-17(20)14-6-8-18-9-7-14/h4-5,10,14,18H,1,6-9,11H2,2-3H3
InChIKeyLQIBPKSUNJTPTF-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.39
Rot. Bonds3

About 5-methyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole

5-methyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole (PubChem CID 82333242) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-methyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole.

Molecular Properties

Compound Name5-methyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole
PubChem CID82333242
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name5-methyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole
SMILESC=C(C)Cn1c(C2CCNCC2)nc2cc(C)ccc21
InChIInChI=1S/C17H23N3/c1-12(2)11-20-16-5-4-13(3)10-15(16)19-17(20)14-6-8-18-9-7-14/h4-5,10,14,18H,1,6-9,11H2,2-3H3
InChIKeyLQIBPKSUNJTPTF-UHFFFAOYSA-N
XLogP3.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole
CID 82333752
1-(2-methylprop-2-enyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole
CID 82334213
1-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole
CID 54920145
1-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine
CID 82332995
5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole
CID 82333743
1-ethyl-2-piperidin-4-ylbenzimidazole
CID 20983587
5-fluoro-1-pentyl-2-piperidin-4-ylbenzimidazole
CID 82332332
1-ethyl-2-piperidin-4-yl-5-propoxybenzimidazole
CID 82335125
2-piperidin-4-yl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 84818178
5-methyl-1-piperidin-4-ylbenzimidazol-2-amine
CID 84793876
1-hexyl-5-methyl-2-piperidin-3-ylbenzimidazole
CID 82333331
1-(3-methylphenyl)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4754427

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole?
The IUPAC name of 5-methyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole (CID 82333242) is 5-methyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole.
What is the SMILES notation for 5-methyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole?
The canonical SMILES for 5-methyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole is C=C(C)Cn1c(C2CCNCC2)nc2cc(C)ccc21.
What is the InChIKey of 5-methyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole?
The InChIKey is LQIBPKSUNJTPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12(2)11-20-16-5-4-13(3)10-15(16)19-17(20)14-6-8-18-9-7-14/h4-5,10,14,18H,1,6-9,11H2,2-3H3.
What are the key properties of 5-methyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole?
5-methyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole has a molecular weight of 269.39 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole is sourced from PubChem (CID 82333242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).