1,3,5-trimethyl-4,5,6,7-tetrahydro-2H-benzimidazole

C10H18N2 — CID 163713950

IUPAC1,3,5-trimethyl-4,5,6,7-tetrahydro-2H-benzimidazole
SMILESCC1CCC2=C(C1)N(C)CN2C
InChIInChI=1S/C10H18N2/c1-8-4-5-9-10(6-8)12(3)7-11(9)2/h8H,4-7H2,1-3H3
InChIKeyKLRNPEOTLYUMCT-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.85
Rot. Bonds

About 1,3,5-trimethyl-4,5,6,7-tetrahydro-2H-benzimidazole

1,3,5-trimethyl-4,5,6,7-tetrahydro-2H-benzimidazole (PubChem CID 163713950) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1,3,5-trimethyl-4,5,6,7-tetrahydro-2H-benzimidazole.

Molecular Properties

Compound Name1,3,5-trimethyl-4,5,6,7-tetrahydro-2H-benzimidazole
PubChem CID163713950
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1,3,5-trimethyl-4,5,6,7-tetrahydro-2H-benzimidazole
SMILESCC1CCC2=C(C1)N(C)CN2C
InChIInChI=1S/C10H18N2/c1-8-4-5-9-10(6-8)12(3)7-11(9)2/h8H,4-7H2,1-3H3
InChIKeyKLRNPEOTLYUMCT-UHFFFAOYSA-N
XLogP1.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3,5-trimethyl-4,5,6,7-tetrahydro-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 1,3,5-trimethyl-4,5,6,7-tetrahydro-2H-benzimidazole?
The IUPAC name of 1,3,5-trimethyl-4,5,6,7-tetrahydro-2H-benzimidazole (CID 163713950) is 1,3,5-trimethyl-4,5,6,7-tetrahydro-2H-benzimidazole.
What is the SMILES notation for 1,3,5-trimethyl-4,5,6,7-tetrahydro-2H-benzimidazole?
The canonical SMILES for 1,3,5-trimethyl-4,5,6,7-tetrahydro-2H-benzimidazole is CC1CCC2=C(C1)N(C)CN2C.
What is the InChIKey of 1,3,5-trimethyl-4,5,6,7-tetrahydro-2H-benzimidazole?
The InChIKey is KLRNPEOTLYUMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-8-4-5-9-10(6-8)12(3)7-11(9)2/h8H,4-7H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-4,5,6,7-tetrahydro-2H-benzimidazole?
1,3,5-trimethyl-4,5,6,7-tetrahydro-2H-benzimidazole has a molecular weight of 166.27 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-4,5,6,7-tetrahydro-2H-benzimidazole is sourced from PubChem (CID 163713950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).