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

C18H25N3 — CID 82333752

IUPAC5-ethyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole
SMILESC=C(C)Cn1c(C2CCNCC2)nc2cc(CC)ccc21
InChIInChI=1S/C18H25N3/c1-4-14-5-6-17-16(11-14)20-18(21(17)12-13(2)3)15-7-9-19-10-8-15/h5-6,11,15,19H,2,4,7-10,12H2,1,3H3
InChIKeyDVRNXBRNZFQZAR-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.64
Rot. Bonds4

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

5-ethyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole (PubChem CID 82333752) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 5-ethyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole.

Molecular Properties

Compound Name5-ethyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole
PubChem CID82333752
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name5-ethyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole
SMILESC=C(C)Cn1c(C2CCNCC2)nc2cc(CC)ccc21
InChIInChI=1S/C18H25N3/c1-4-14-5-6-17-16(11-14)20-18(21(17)12-13(2)3)15-7-9-19-10-8-15/h5-6,11,15,19H,2,4,7-10,12H2,1,3H3
InChIKeyDVRNXBRNZFQZAR-UHFFFAOYSA-N
XLogP3.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.64
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-methyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole
CID 82333242
5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole
CID 82333743
1-(2-methylprop-2-enyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole
CID 82334213
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
1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole
CID 71301961
6-ethyl-2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84643398
2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]ethanol
CID 82311687
(4S)-1-[(4-methoxyphenyl)methyl]-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40823655
5,6-dichloro-2-piperidin-4-yl-1-(pyridin-4-ylmethyl)benzimidazole
CID 508380

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole?
The IUPAC name of 5-ethyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole (CID 82333752) is 5-ethyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole.
What is the SMILES notation for 5-ethyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole?
The canonical SMILES for 5-ethyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole is C=C(C)Cn1c(C2CCNCC2)nc2cc(CC)ccc21.
What is the InChIKey of 5-ethyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole?
The InChIKey is DVRNXBRNZFQZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-4-14-5-6-17-16(11-14)20-18(21(17)12-13(2)3)15-7-9-19-10-8-15/h5-6,11,15,19H,2,4,7-10,12H2,1,3H3.
What are the key properties of 5-ethyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole?
5-ethyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole has a molecular weight of 283.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole is sourced from PubChem (CID 82333752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).