2,3,7a-trimethyl-3aH-benzimidazole

C10H14N2 — CID 70330879

IUPAC2,3,7a-trimethyl-3aH-benzimidazole
SMILESCC1=NC2(C)C=CC=CC2N1C
InChIInChI=1S/C10H14N2/c1-8-11-10(2)7-5-4-6-9(10)12(8)3/h4-7,9H,1-3H3
InChIKeyBCXBOPIJZLMASY-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.60
Rot. Bonds

About 2,3,7a-trimethyl-3aH-benzimidazole

2,3,7a-trimethyl-3aH-benzimidazole (PubChem CID 70330879) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2,3,7a-trimethyl-3aH-benzimidazole.

Molecular Properties

Compound Name2,3,7a-trimethyl-3aH-benzimidazole
PubChem CID70330879
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2,3,7a-trimethyl-3aH-benzimidazole
SMILESCC1=NC2(C)C=CC=CC2N1C
InChIInChI=1S/C10H14N2/c1-8-11-10(2)7-5-4-6-9(10)12(8)3/h4-7,9H,1-3H3
InChIKeyBCXBOPIJZLMASY-UHFFFAOYSA-N
XLogP1.60
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,7a-trimethyl-3aH-benzimidazole?
The IUPAC name of 2,3,7a-trimethyl-3aH-benzimidazole (CID 70330879) is 2,3,7a-trimethyl-3aH-benzimidazole.
What is the SMILES notation for 2,3,7a-trimethyl-3aH-benzimidazole?
The canonical SMILES for 2,3,7a-trimethyl-3aH-benzimidazole is CC1=NC2(C)C=CC=CC2N1C.
What is the InChIKey of 2,3,7a-trimethyl-3aH-benzimidazole?
The InChIKey is BCXBOPIJZLMASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-8-11-10(2)7-5-4-6-9(10)12(8)3/h4-7,9H,1-3H3.
What are the key properties of 2,3,7a-trimethyl-3aH-benzimidazole?
2,3,7a-trimethyl-3aH-benzimidazole has a molecular weight of 162.24 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7a-trimethyl-3aH-benzimidazole is sourced from PubChem (CID 70330879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).