2-(1-propylimidazol-2-yl)cycloheptane-1-carboxylic acid

C14H22N2O2 — CID 81008890

IUPAC2-(1-propylimidazol-2-yl)cycloheptane-1-carboxylic acid
SMILESCCCn1ccnc1C1CCCCCC1C(=O)O
InChIInChI=1S/C14H22N2O2/c1-2-9-16-10-8-15-13(16)11-6-4-3-5-7-12(11)14(17)18/h8,10-12H,2-7,9H2,1H3,(H,17,18)
InChIKeyIDANUGDLDLOCRZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.04
Rot. Bonds4

About 2-(1-propylimidazol-2-yl)cycloheptane-1-carboxylic acid

2-(1-propylimidazol-2-yl)cycloheptane-1-carboxylic acid (PubChem CID 81008890) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(1-propylimidazol-2-yl)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-propylimidazol-2-yl)cycloheptane-1-carboxylic acid
PubChem CID81008890
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(1-propylimidazol-2-yl)cycloheptane-1-carboxylic acid
SMILESCCCn1ccnc1C1CCCCCC1C(=O)O
InChIInChI=1S/C14H22N2O2/c1-2-9-16-10-8-15-13(16)11-6-4-3-5-7-12(11)14(17)18/h8,10-12H,2-7,9H2,1H3,(H,17,18)
InChIKeyIDANUGDLDLOCRZ-UHFFFAOYSA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-propylimidazol-2-yl)cycloheptane-1-carboxylic acid 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 2-(1-propylimidazol-2-yl)cycloheptane-1-carboxylic acid?
The IUPAC name of 2-(1-propylimidazol-2-yl)cycloheptane-1-carboxylic acid (CID 81008890) is 2-(1-propylimidazol-2-yl)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-(1-propylimidazol-2-yl)cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-(1-propylimidazol-2-yl)cycloheptane-1-carboxylic acid is CCCn1ccnc1C1CCCCCC1C(=O)O.
What is the InChIKey of 2-(1-propylimidazol-2-yl)cycloheptane-1-carboxylic acid?
The InChIKey is IDANUGDLDLOCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-9-16-10-8-15-13(16)11-6-4-3-5-7-12(11)14(17)18/h8,10-12H,2-7,9H2,1H3,(H,17,18).
What are the key properties of 2-(1-propylimidazol-2-yl)cycloheptane-1-carboxylic acid?
2-(1-propylimidazol-2-yl)cycloheptane-1-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylimidazol-2-yl)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 81008890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).