1-methyl-6-propan-2-yl-3a,7a-dihydrobenzimidazole

C11H16N2 — CID 134337239

IUPAC1-methyl-6-propan-2-yl-3a,7a-dihydrobenzimidazole
SMILESCC(C)C1=CC2C(C=C1)N=CN2C
InChIInChI=1S/C11H16N2/c1-8(2)9-4-5-10-11(6-9)13(3)7-12-10/h4-8,10-11H,1-3H3
InChIKeyVIZIKSTVIJQQGZ-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.85
Rot. Bonds1

About 1-methyl-6-propan-2-yl-3a,7a-dihydrobenzimidazole

1-methyl-6-propan-2-yl-3a,7a-dihydrobenzimidazole (PubChem CID 134337239) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-methyl-6-propan-2-yl-3a,7a-dihydrobenzimidazole.

Molecular Properties

Compound Name1-methyl-6-propan-2-yl-3a,7a-dihydrobenzimidazole
PubChem CID134337239
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-methyl-6-propan-2-yl-3a,7a-dihydrobenzimidazole
SMILESCC(C)C1=CC2C(C=C1)N=CN2C
InChIInChI=1S/C11H16N2/c1-8(2)9-4-5-10-11(6-9)13(3)7-12-10/h4-8,10-11H,1-3H3
InChIKeyVIZIKSTVIJQQGZ-UHFFFAOYSA-N
XLogP1.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-6-propan-2-yl-3a,7a-dihydrobenzimidazole 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-6-propan-2-yl-3a,7a-dihydrobenzimidazole?
The IUPAC name of 1-methyl-6-propan-2-yl-3a,7a-dihydrobenzimidazole (CID 134337239) is 1-methyl-6-propan-2-yl-3a,7a-dihydrobenzimidazole.
What is the SMILES notation for 1-methyl-6-propan-2-yl-3a,7a-dihydrobenzimidazole?
The canonical SMILES for 1-methyl-6-propan-2-yl-3a,7a-dihydrobenzimidazole is CC(C)C1=CC2C(C=C1)N=CN2C.
What is the InChIKey of 1-methyl-6-propan-2-yl-3a,7a-dihydrobenzimidazole?
The InChIKey is VIZIKSTVIJQQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8(2)9-4-5-10-11(6-9)13(3)7-12-10/h4-8,10-11H,1-3H3.
What are the key properties of 1-methyl-6-propan-2-yl-3a,7a-dihydrobenzimidazole?
1-methyl-6-propan-2-yl-3a,7a-dihydrobenzimidazole has a molecular weight of 176.26 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-propan-2-yl-3a,7a-dihydrobenzimidazole is sourced from PubChem (CID 134337239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).