3-propan-2-yl-1,2,3a,7a-tetrahydrobenzimidazole

C10H16N2 — CID 21479185

IUPAC3-propan-2-yl-1,2,3a,7a-tetrahydrobenzimidazole
SMILESCC(C)N1CNC2C=CC=CC21
InChIInChI=1S/C10H16N2/c1-8(2)12-7-11-9-5-3-4-6-10(9)12/h3-6,8-11H,7H2,1-2H3
InChIKeyYOPDLXWQKDNHAL-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.12
Rot. Bonds1

About 3-propan-2-yl-1,2,3a,7a-tetrahydrobenzimidazole

3-propan-2-yl-1,2,3a,7a-tetrahydrobenzimidazole (PubChem CID 21479185) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-propan-2-yl-1,2,3a,7a-tetrahydrobenzimidazole.

Molecular Properties

Compound Name3-propan-2-yl-1,2,3a,7a-tetrahydrobenzimidazole
PubChem CID21479185
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3-propan-2-yl-1,2,3a,7a-tetrahydrobenzimidazole
SMILESCC(C)N1CNC2C=CC=CC21
InChIInChI=1S/C10H16N2/c1-8(2)12-7-11-9-5-3-4-6-10(9)12/h3-6,8-11H,7H2,1-2H3
InChIKeyYOPDLXWQKDNHAL-UHFFFAOYSA-N
XLogP1.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-propan-2-yl-1,2,3a,7a-tetrahydrobenzimidazole 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 3-propan-2-yl-1,2,3a,7a-tetrahydrobenzimidazole?
The IUPAC name of 3-propan-2-yl-1,2,3a,7a-tetrahydrobenzimidazole (CID 21479185) is 3-propan-2-yl-1,2,3a,7a-tetrahydrobenzimidazole.
What is the SMILES notation for 3-propan-2-yl-1,2,3a,7a-tetrahydrobenzimidazole?
The canonical SMILES for 3-propan-2-yl-1,2,3a,7a-tetrahydrobenzimidazole is CC(C)N1CNC2C=CC=CC21.
What is the InChIKey of 3-propan-2-yl-1,2,3a,7a-tetrahydrobenzimidazole?
The InChIKey is YOPDLXWQKDNHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8(2)12-7-11-9-5-3-4-6-10(9)12/h3-6,8-11H,7H2,1-2H3.
What are the key properties of 3-propan-2-yl-1,2,3a,7a-tetrahydrobenzimidazole?
3-propan-2-yl-1,2,3a,7a-tetrahydrobenzimidazole has a molecular weight of 164.25 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,2,3a,7a-tetrahydrobenzimidazole is sourced from PubChem (CID 21479185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).