4-(6-chloro-1H-benzimidazol-2-yl)oxolan-3-amine

C11H12ClN3O — CID 66238869

IUPAC4-(6-chloro-1H-benzimidazol-2-yl)oxolan-3-amine
SMILESNC1COCC1c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H12ClN3O/c12-6-1-2-9-10(3-6)15-11(14-9)7-4-16-5-8(7)13/h1-3,7-8H,4-5,13H2,(H,14,15)
InChIKeyIKCQQJLWXJGXSD-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.66
Rot. Bonds1

About 4-(6-chloro-1H-benzimidazol-2-yl)oxolan-3-amine

4-(6-chloro-1H-benzimidazol-2-yl)oxolan-3-amine (PubChem CID 66238869) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-(6-chloro-1H-benzimidazol-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name4-(6-chloro-1H-benzimidazol-2-yl)oxolan-3-amine
PubChem CID66238869
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name4-(6-chloro-1H-benzimidazol-2-yl)oxolan-3-amine
SMILESNC1COCC1c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H12ClN3O/c12-6-1-2-9-10(3-6)15-11(14-9)7-4-16-5-8(7)13/h1-3,7-8H,4-5,13H2,(H,14,15)
InChIKeyIKCQQJLWXJGXSD-UHFFFAOYSA-N
XLogP1.66
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(6-chloro-1H-benzimidazol-2-yl)oxolan-3-amine 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-(6-chloro-1H-benzimidazol-2-yl)oxolan-3-amine?
The IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)oxolan-3-amine (CID 66238869) is 4-(6-chloro-1H-benzimidazol-2-yl)oxolan-3-amine.
What is the SMILES notation for 4-(6-chloro-1H-benzimidazol-2-yl)oxolan-3-amine?
The canonical SMILES for 4-(6-chloro-1H-benzimidazol-2-yl)oxolan-3-amine is NC1COCC1c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 4-(6-chloro-1H-benzimidazol-2-yl)oxolan-3-amine?
The InChIKey is IKCQQJLWXJGXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-6-1-2-9-10(3-6)15-11(14-9)7-4-16-5-8(7)13/h1-3,7-8H,4-5,13H2,(H,14,15).
What are the key properties of 4-(6-chloro-1H-benzimidazol-2-yl)oxolan-3-amine?
4-(6-chloro-1H-benzimidazol-2-yl)oxolan-3-amine has a molecular weight of 237.69 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-benzimidazol-2-yl)oxolan-3-amine is sourced from PubChem (CID 66238869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).