1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole

C19H29N3 — CID 82334211

IUPAC1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole
SMILESCC(C)Cn1c(C2CCCNC2)nc2cc(C(C)C)ccc21
InChIInChI=1S/C19H29N3/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/h7-8,10,13-14,16,20H,5-6,9,11-12H2,1-4H3
InChIKeyYSIQKKSGAJQBEH-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.28
Rot. Bonds4

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

1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole (PubChem CID 82334211) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole
PubChem CID82334211
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole
SMILESCC(C)Cn1c(C2CCCNC2)nc2cc(C(C)C)ccc21
InChIInChI=1S/C19H29N3/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/h7-8,10,13-14,16,20H,5-6,9,11-12H2,1-4H3
InChIKeyYSIQKKSGAJQBEH-UHFFFAOYSA-N
XLogP4.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-methylpropyl)-2-piperidin-3-yl-5-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 1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole?
The IUPAC name of 1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole (CID 82334211) is 1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole.
What is the SMILES notation for 1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole?
The canonical SMILES for 1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole is CC(C)Cn1c(C2CCCNC2)nc2cc(C(C)C)ccc21.
What is the InChIKey of 1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole?
The InChIKey is YSIQKKSGAJQBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/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/h7-8,10,13-14,16,20H,5-6,9,11-12H2,1-4H3.
What are the key properties of 1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole?
1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole has a molecular weight of 299.46 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole is sourced from PubChem (CID 82334211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).