1-methyl-3-propan-2-yl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole

C11H22N2 — CID 58030172

IUPAC1-methyl-3-propan-2-yl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole
SMILESCC(C)N1CN(C)C2CCCCC21
InChIInChI=1S/C11H22N2/c1-9(2)13-8-12(3)10-6-4-5-7-11(10)13/h9-11H,4-8H2,1-3H3
InChIKeyFTTJHMOSRSZUST-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.91
Rot. Bonds1

About 1-methyl-3-propan-2-yl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole

1-methyl-3-propan-2-yl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole (PubChem CID 58030172) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole
PubChem CID58030172
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-methyl-3-propan-2-yl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole
SMILESCC(C)N1CN(C)C2CCCCC21
InChIInChI=1S/C11H22N2/c1-9(2)13-8-12(3)10-6-4-5-7-11(10)13/h9-11H,4-8H2,1-3H3
InChIKeyFTTJHMOSRSZUST-UHFFFAOYSA-N
XLogP1.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-propan-2-yl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole 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-methyl-3-propan-2-yl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole?
The IUPAC name of 1-methyl-3-propan-2-yl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole (CID 58030172) is 1-methyl-3-propan-2-yl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole.
What is the SMILES notation for 1-methyl-3-propan-2-yl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole?
The canonical SMILES for 1-methyl-3-propan-2-yl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole is CC(C)N1CN(C)C2CCCCC21.
What is the InChIKey of 1-methyl-3-propan-2-yl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole?
The InChIKey is FTTJHMOSRSZUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)13-8-12(3)10-6-4-5-7-11(10)13/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole?
1-methyl-3-propan-2-yl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole has a molecular weight of 182.31 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole is sourced from PubChem (CID 58030172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).