1-propyl-7H-cyclohepta[d]imidazole

C11H14N2 — CID 134239217

IUPAC1-propyl-7H-cyclohepta[d]imidazole
SMILESCCCn1cnc2c1=CCC=CC=2
InChIInChI=1S/C11H14N2/c1-2-8-13-9-12-10-6-4-3-5-7-11(10)13/h3-4,6-7,9H,2,5,8H2,1H3
InChIKeyYNTKXNVCGKRXGQ-UHFFFAOYSA-N
MW174.25 g/mol
LogP0.81
Rot. Bonds2

About 1-propyl-7H-cyclohepta[d]imidazole

1-propyl-7H-cyclohepta[d]imidazole (PubChem CID 134239217) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-propyl-7H-cyclohepta[d]imidazole.

Molecular Properties

Compound Name1-propyl-7H-cyclohepta[d]imidazole
PubChem CID134239217
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1-propyl-7H-cyclohepta[d]imidazole
SMILESCCCn1cnc2c1=CCC=CC=2
InChIInChI=1S/C11H14N2/c1-2-8-13-9-12-10-6-4-3-5-7-11(10)13/h3-4,6-7,9H,2,5,8H2,1H3
InChIKeyYNTKXNVCGKRXGQ-UHFFFAOYSA-N
XLogP0.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-7H-cyclohepta[d]imidazole?
The IUPAC name of 1-propyl-7H-cyclohepta[d]imidazole (CID 134239217) is 1-propyl-7H-cyclohepta[d]imidazole.
What is the SMILES notation for 1-propyl-7H-cyclohepta[d]imidazole?
The canonical SMILES for 1-propyl-7H-cyclohepta[d]imidazole is CCCn1cnc2c1=CCC=CC=2.
What is the InChIKey of 1-propyl-7H-cyclohepta[d]imidazole?
The InChIKey is YNTKXNVCGKRXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-8-13-9-12-10-6-4-3-5-7-11(10)13/h3-4,6-7,9H,2,5,8H2,1H3.
What are the key properties of 1-propyl-7H-cyclohepta[d]imidazole?
1-propyl-7H-cyclohepta[d]imidazole has a molecular weight of 174.25 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-7H-cyclohepta[d]imidazole is sourced from PubChem (CID 134239217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).