2-piperidin-3-yl-5-propan-2-yl-1-prop-2-ynylbenzimidazole

C18H23N3 — CID 82334214

IUPAC2-piperidin-3-yl-5-propan-2-yl-1-prop-2-ynylbenzimidazole
SMILESC#CCn1c(C2CCCNC2)nc2cc(C(C)C)ccc21
InChIInChI=1S/C18H23N3/c1-4-10-21-17-8-7-14(13(2)3)11-16(17)20-18(21)15-6-5-9-19-12-15/h1,7-8,11,13,15,19H,5-6,9-10,12H2,2-3H3
InChIKeyAGRDCQIGLQKQSG-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.26
Rot. Bonds3

About 2-piperidin-3-yl-5-propan-2-yl-1-prop-2-ynylbenzimidazole

2-piperidin-3-yl-5-propan-2-yl-1-prop-2-ynylbenzimidazole (PubChem CID 82334214) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-piperidin-3-yl-5-propan-2-yl-1-prop-2-ynylbenzimidazole.

Molecular Properties

Compound Name2-piperidin-3-yl-5-propan-2-yl-1-prop-2-ynylbenzimidazole
PubChem CID82334214
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name2-piperidin-3-yl-5-propan-2-yl-1-prop-2-ynylbenzimidazole
SMILESC#CCn1c(C2CCCNC2)nc2cc(C(C)C)ccc21
InChIInChI=1S/C18H23N3/c1-4-10-21-17-8-7-14(13(2)3)11-16(17)20-18(21)15-6-5-9-19-12-15/h1,7-8,11,13,15,19H,5-6,9-10,12H2,2-3H3
InChIKeyAGRDCQIGLQKQSG-UHFFFAOYSA-N
XLogP3.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole
CID 82334211
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
2-piperidin-4-yl-5-propan-2-yloxy-1-prop-2-ynylbenzimidazole
CID 82335355
1-hexyl-5-methyl-2-piperidin-3-ylbenzimidazole
CID 82333331
2-(5-propan-2-yl-1-prop-2-ynylbenzimidazol-2-yl)ethanethiol
CID 82334227
2-piperidin-4-yl-1,5-di(propan-2-yl)benzimidazole
CID 82334138
3-(4-propan-2-ylphenyl)piperidine
CID 58015975
3-[3-(4-propan-2-ylphenyl)imidazol-4-yl]piperidine
CID 114702820
2-cyclobutyl-5,6-dimethyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 82149774
2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine
CID 82380447
5-methoxy-1-methyl-2-piperidin-3-ylpyrrolo[3,2-b]pyridine
CID 82384884

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-5-propan-2-yl-1-prop-2-ynylbenzimidazole?
The IUPAC name of 2-piperidin-3-yl-5-propan-2-yl-1-prop-2-ynylbenzimidazole (CID 82334214) is 2-piperidin-3-yl-5-propan-2-yl-1-prop-2-ynylbenzimidazole.
What is the SMILES notation for 2-piperidin-3-yl-5-propan-2-yl-1-prop-2-ynylbenzimidazole?
The canonical SMILES for 2-piperidin-3-yl-5-propan-2-yl-1-prop-2-ynylbenzimidazole is C#CCn1c(C2CCCNC2)nc2cc(C(C)C)ccc21.
What is the InChIKey of 2-piperidin-3-yl-5-propan-2-yl-1-prop-2-ynylbenzimidazole?
The InChIKey is AGRDCQIGLQKQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-4-10-21-17-8-7-14(13(2)3)11-16(17)20-18(21)15-6-5-9-19-12-15/h1,7-8,11,13,15,19H,5-6,9-10,12H2,2-3H3.
What are the key properties of 2-piperidin-3-yl-5-propan-2-yl-1-prop-2-ynylbenzimidazole?
2-piperidin-3-yl-5-propan-2-yl-1-prop-2-ynylbenzimidazole has a molecular weight of 281.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-5-propan-2-yl-1-prop-2-ynylbenzimidazole is sourced from PubChem (CID 82334214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).