2-[2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethoxy]ethanol

C14H19N3O2 — CID 62499135

IUPAC2-[2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethoxy]ethanol
SMILESNc1ccc2c(c1)nc(C1CC1)n2CCOCCO
InChIInChI=1S/C14H19N3O2/c15-11-3-4-13-12(9-11)16-14(10-1-2-10)17(13)5-7-19-8-6-18/h3-4,9-10,18H,1-2,5-8,15H2
InChIKeyKVUUWZGCFKKCIC-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.50
Rot. Bonds6

About 2-[2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethoxy]ethanol

2-[2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethoxy]ethanol (PubChem CID 62499135) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethoxy]ethanol
PubChem CID62499135
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethoxy]ethanol
SMILESNc1ccc2c(c1)nc(C1CC1)n2CCOCCO
InChIInChI=1S/C14H19N3O2/c15-11-3-4-13-12(9-11)16-14(10-1-2-10)17(13)5-7-19-8-6-18/h3-4,9-10,18H,1-2,5-8,15H2
InChIKeyKVUUWZGCFKKCIC-UHFFFAOYSA-N
XLogP1.50
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethoxy]ethanol 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-[2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethoxy]ethanol (CID 62499135) is 2-[2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethoxy]ethanol is Nc1ccc2c(c1)nc(C1CC1)n2CCOCCO.
What is the InChIKey of 2-[2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethoxy]ethanol?
The InChIKey is KVUUWZGCFKKCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-11-3-4-13-12(9-11)16-14(10-1-2-10)17(13)5-7-19-8-6-18/h3-4,9-10,18H,1-2,5-8,15H2.
What are the key properties of 2-[2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethoxy]ethanol?
2-[2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethoxy]ethanol has a molecular weight of 261.32 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethoxy]ethanol is sourced from PubChem (CID 62499135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).