2-(3-ethylpiperidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole

C18H27N3 — CID 63133850

IUPAC2-(3-ethylpiperidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole
SMILESCCC1(c2nc3cc(C)ccc3n2C(C)C)CCCNC1
InChIInChI=1S/C18H27N3/c1-5-18(9-6-10-19-12-18)17-20-15-11-14(4)7-8-16(15)21(17)13(2)3/h7-8,11,13,19H,5-6,9-10,12H2,1-4H3
InChIKeyKWOYSMKFJSUPAB-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.96
Rot. Bonds3

About 2-(3-ethylpiperidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole

2-(3-ethylpiperidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole (PubChem CID 63133850) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-(3-ethylpiperidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name2-(3-ethylpiperidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole
PubChem CID63133850
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-(3-ethylpiperidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole
SMILESCCC1(c2nc3cc(C)ccc3n2C(C)C)CCCNC1
InChIInChI=1S/C18H27N3/c1-5-18(9-6-10-19-12-18)17-20-15-11-14(4)7-8-16(15)21(17)13(2)3/h7-8,11,13,19H,5-6,9-10,12H2,1-4H3
InChIKeyKWOYSMKFJSUPAB-UHFFFAOYSA-N
XLogP3.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-ethylpiperidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpiperidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole?
The IUPAC name of 2-(3-ethylpiperidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole (CID 63133850) is 2-(3-ethylpiperidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 2-(3-ethylpiperidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole?
The canonical SMILES for 2-(3-ethylpiperidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole is CCC1(c2nc3cc(C)ccc3n2C(C)C)CCCNC1.
What is the InChIKey of 2-(3-ethylpiperidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole?
The InChIKey is KWOYSMKFJSUPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-18(9-6-10-19-12-18)17-20-15-11-14(4)7-8-16(15)21(17)13(2)3/h7-8,11,13,19H,5-6,9-10,12H2,1-4H3.
What are the key properties of 2-(3-ethylpiperidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole?
2-(3-ethylpiperidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole has a molecular weight of 285.44 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpiperidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 63133850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).