1-(2-methylprop-2-enyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole

C19H27N3 — CID 82334213

IUPAC1-(2-methylprop-2-enyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole
SMILESC=C(C)Cn1c(C2CCCNC2)nc2cc(C(C)C)ccc21
InChIInChI=1S/C19H27N3/c1-13(2)12-22-18-8-7-15(14(3)4)10-17(18)21-19(22)16-6-5-9-20-11-16/h7-8,10,14,16,20H,1,5-6,9,11-12H2,2-4H3
InChIKeyDDUGAPOGQXKPFE-UHFFFAOYSA-N
MW297.45 g/mol
LogP4.20
Rot. Bonds4

About 1-(2-methylprop-2-enyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole

1-(2-methylprop-2-enyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole (PubChem CID 82334213) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole
PubChem CID82334213
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC Name1-(2-methylprop-2-enyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole
SMILESC=C(C)Cn1c(C2CCCNC2)nc2cc(C(C)C)ccc21
InChIInChI=1S/C19H27N3/c1-13(2)12-22-18-8-7-15(14(3)4)10-17(18)21-19(22)16-6-5-9-20-11-16/h7-8,10,14,16,20H,1,5-6,9,11-12H2,2-4H3
InChIKeyDDUGAPOGQXKPFE-UHFFFAOYSA-N
XLogP4.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 54.20
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

1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole
CID 82334211
2-piperidin-3-yl-5-propan-2-yl-1-prop-2-ynylbenzimidazole
CID 82334214
5-methyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole
CID 82333242
1-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole
CID 54920145
5-ethyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole
CID 82333752
[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
CID 82334164
1-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine
CID 82333991
1-hexyl-5-methyl-2-piperidin-3-ylbenzimidazole
CID 82333331
N-methyl-2-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine
CID 82334068
2-piperidin-4-yl-1,5-di(propan-2-yl)benzimidazole
CID 82334138
3-(4-propan-2-ylphenyl)piperidine
CID 58015975
2-cyclobutyl-5,6-dimethyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 82149774

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole?
The IUPAC name of 1-(2-methylprop-2-enyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole (CID 82334213) is 1-(2-methylprop-2-enyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole?
The canonical SMILES for 1-(2-methylprop-2-enyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole is C=C(C)Cn1c(C2CCCNC2)nc2cc(C(C)C)ccc21.
What is the InChIKey of 1-(2-methylprop-2-enyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole?
The InChIKey is DDUGAPOGQXKPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3/c1-13(2)12-22-18-8-7-15(14(3)4)10-17(18)21-19(22)16-6-5-9-20-11-16/h7-8,10,14,16,20H,1,5-6,9,11-12H2,2-4H3.
What are the key properties of 1-(2-methylprop-2-enyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole?
1-(2-methylprop-2-enyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole has a molecular weight of 297.45 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole is sourced from PubChem (CID 82334213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).