4-(1-ethylimidazol-2-yl)-1-propylazepan-4-ol

C14H25N3O — CID 65077460

IUPAC4-(1-ethylimidazol-2-yl)-1-propylazepan-4-ol
SMILESCCCN1CCCC(O)(c2nccn2CC)CC1
InChIInChI=1S/C14H25N3O/c1-3-9-16-10-5-6-14(18,7-11-16)13-15-8-12-17(13)4-2/h8,12,18H,3-7,9-11H2,1-2H3
InChIKeyVJPFWQDYMOIDBP-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.99
Rot. Bonds4

About 4-(1-ethylimidazol-2-yl)-1-propylazepan-4-ol

4-(1-ethylimidazol-2-yl)-1-propylazepan-4-ol (PubChem CID 65077460) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-(1-ethylimidazol-2-yl)-1-propylazepan-4-ol.

Molecular Properties

Compound Name4-(1-ethylimidazol-2-yl)-1-propylazepan-4-ol
PubChem CID65077460
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-(1-ethylimidazol-2-yl)-1-propylazepan-4-ol
SMILESCCCN1CCCC(O)(c2nccn2CC)CC1
InChIInChI=1S/C14H25N3O/c1-3-9-16-10-5-6-14(18,7-11-16)13-15-8-12-17(13)4-2/h8,12,18H,3-7,9-11H2,1-2H3
InChIKeyVJPFWQDYMOIDBP-UHFFFAOYSA-N
XLogP1.99
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1-ethylimidazol-2-yl)-1-propylazepan-4-ol 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 4-(1-ethylimidazol-2-yl)-1-propylazepan-4-ol?
The IUPAC name of 4-(1-ethylimidazol-2-yl)-1-propylazepan-4-ol (CID 65077460) is 4-(1-ethylimidazol-2-yl)-1-propylazepan-4-ol.
What is the SMILES notation for 4-(1-ethylimidazol-2-yl)-1-propylazepan-4-ol?
The canonical SMILES for 4-(1-ethylimidazol-2-yl)-1-propylazepan-4-ol is CCCN1CCCC(O)(c2nccn2CC)CC1.
What is the InChIKey of 4-(1-ethylimidazol-2-yl)-1-propylazepan-4-ol?
The InChIKey is VJPFWQDYMOIDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-9-16-10-5-6-14(18,7-11-16)13-15-8-12-17(13)4-2/h8,12,18H,3-7,9-11H2,1-2H3.
What are the key properties of 4-(1-ethylimidazol-2-yl)-1-propylazepan-4-ol?
4-(1-ethylimidazol-2-yl)-1-propylazepan-4-ol has a molecular weight of 251.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylimidazol-2-yl)-1-propylazepan-4-ol is sourced from PubChem (CID 65077460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).