1,2,3-trimethyl-4,5-dihydro-2H-benzimidazole

C10H16N2 — CID 167073458

IUPAC1,2,3-trimethyl-4,5-dihydro-2H-benzimidazole
SMILESCC1N(C)C2=C(CCC=C2)N1C
InChIInChI=1S/C10H16N2/c1-8-11(2)9-6-4-5-7-10(9)12(8)3/h4,6,8H,5,7H2,1-3H3
InChIKeyXNDBVATUMQLLSW-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.77
Rot. Bonds

About 1,2,3-trimethyl-4,5-dihydro-2H-benzimidazole

1,2,3-trimethyl-4,5-dihydro-2H-benzimidazole (PubChem CID 167073458) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1,2,3-trimethyl-4,5-dihydro-2H-benzimidazole.

Molecular Properties

Compound Name1,2,3-trimethyl-4,5-dihydro-2H-benzimidazole
PubChem CID167073458
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1,2,3-trimethyl-4,5-dihydro-2H-benzimidazole
SMILESCC1N(C)C2=C(CCC=C2)N1C
InChIInChI=1S/C10H16N2/c1-8-11(2)9-6-4-5-7-10(9)12(8)3/h4,6,8H,5,7H2,1-3H3
InChIKeyXNDBVATUMQLLSW-UHFFFAOYSA-N
XLogP1.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-4,5-dihydro-2H-benzimidazole?
The IUPAC name of 1,2,3-trimethyl-4,5-dihydro-2H-benzimidazole (CID 167073458) is 1,2,3-trimethyl-4,5-dihydro-2H-benzimidazole.
What is the SMILES notation for 1,2,3-trimethyl-4,5-dihydro-2H-benzimidazole?
The canonical SMILES for 1,2,3-trimethyl-4,5-dihydro-2H-benzimidazole is CC1N(C)C2=C(CCC=C2)N1C.
What is the InChIKey of 1,2,3-trimethyl-4,5-dihydro-2H-benzimidazole?
The InChIKey is XNDBVATUMQLLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8-11(2)9-6-4-5-7-10(9)12(8)3/h4,6,8H,5,7H2,1-3H3.
What are the key properties of 1,2,3-trimethyl-4,5-dihydro-2H-benzimidazole?
1,2,3-trimethyl-4,5-dihydro-2H-benzimidazole has a molecular weight of 164.25 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-4,5-dihydro-2H-benzimidazole is sourced from PubChem (CID 167073458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).