7-methyl-2-propyl-2,3,4,5-tetrahydro-1H-benzimidazole

C11H18N2 — CID 89098014

IUPAC7-methyl-2-propyl-2,3,4,5-tetrahydro-1H-benzimidazole
SMILESCCCC1NC2=C(N1)C(C)=CCC2
InChIInChI=1S/C11H18N2/c1-3-5-10-12-9-7-4-6-8(2)11(9)13-10/h6,10,12-13H,3-5,7H2,1-2H3
InChIKeyHZFGBZRYRAGFEL-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.26
Rot. Bonds2

About 7-methyl-2-propyl-2,3,4,5-tetrahydro-1H-benzimidazole

7-methyl-2-propyl-2,3,4,5-tetrahydro-1H-benzimidazole (PubChem CID 89098014) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 7-methyl-2-propyl-2,3,4,5-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name7-methyl-2-propyl-2,3,4,5-tetrahydro-1H-benzimidazole
PubChem CID89098014
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name7-methyl-2-propyl-2,3,4,5-tetrahydro-1H-benzimidazole
SMILESCCCC1NC2=C(N1)C(C)=CCC2
InChIInChI=1S/C11H18N2/c1-3-5-10-12-9-7-4-6-8(2)11(9)13-10/h6,10,12-13H,3-5,7H2,1-2H3
InChIKeyHZFGBZRYRAGFEL-UHFFFAOYSA-N
XLogP2.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-propyl-2,3,4,5-tetrahydro-1H-benzimidazole?
The IUPAC name of 7-methyl-2-propyl-2,3,4,5-tetrahydro-1H-benzimidazole (CID 89098014) is 7-methyl-2-propyl-2,3,4,5-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 7-methyl-2-propyl-2,3,4,5-tetrahydro-1H-benzimidazole?
The canonical SMILES for 7-methyl-2-propyl-2,3,4,5-tetrahydro-1H-benzimidazole is CCCC1NC2=C(N1)C(C)=CCC2.
What is the InChIKey of 7-methyl-2-propyl-2,3,4,5-tetrahydro-1H-benzimidazole?
The InChIKey is HZFGBZRYRAGFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-5-10-12-9-7-4-6-8(2)11(9)13-10/h6,10,12-13H,3-5,7H2,1-2H3.
What are the key properties of 7-methyl-2-propyl-2,3,4,5-tetrahydro-1H-benzimidazole?
7-methyl-2-propyl-2,3,4,5-tetrahydro-1H-benzimidazole has a molecular weight of 178.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-propyl-2,3,4,5-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 89098014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).