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

C13H16ClN3O — CID 113316577

IUPAC4-(6-chloro-1-ethylbenzimidazol-2-yl)oxolan-3-amine
SMILESCCn1c(C2COCC2N)nc2ccc(Cl)cc21
InChIInChI=1S/C13H16ClN3O/c1-2-17-12-5-8(14)3-4-11(12)16-13(17)9-6-18-7-10(9)15/h3-5,9-10H,2,6-7,15H2,1H3
InChIKeyZBHPUHYYQYAEMU-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.15
Rot. Bonds2

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

4-(6-chloro-1-ethylbenzimidazol-2-yl)oxolan-3-amine (PubChem CID 113316577) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 4-(6-chloro-1-ethylbenzimidazol-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name4-(6-chloro-1-ethylbenzimidazol-2-yl)oxolan-3-amine
PubChem CID113316577
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name4-(6-chloro-1-ethylbenzimidazol-2-yl)oxolan-3-amine
SMILESCCn1c(C2COCC2N)nc2ccc(Cl)cc21
InChIInChI=1S/C13H16ClN3O/c1-2-17-12-5-8(14)3-4-11(12)16-13(17)9-6-18-7-10(9)15/h3-5,9-10H,2,6-7,15H2,1H3
InChIKeyZBHPUHYYQYAEMU-UHFFFAOYSA-N
XLogP2.15
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(6-chloro-1-ethylbenzimidazol-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

Related Compounds

4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)oxolan-3-amine
CID 115473010
6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole
CID 113316602
4-(6-chloro-1-methylbenzimidazol-2-yl)-N-ethyloxolan-3-amine
CID 115472457
4-(6-chloro-1H-benzimidazol-2-yl)oxolan-3-amine
CID 66238869
2-[2-(4-aminooxolan-3-yl)benzimidazol-1-yl]ethanol
CID 66240074
4-(6-chloro-1-methylbenzimidazol-2-yl)-N-propyloxolan-3-amine
CID 115472367
6-chloro-2-(oxolan-2-yl)-1-propylbenzimidazole
CID 46310785
4-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 115472705
3-ethyl-2-(oxolan-3-yl)benzimidazol-5-amine
CID 114202823
6-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 115472628
1-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 115472770
1-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylmethanamine
CID 46310511

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1-ethylbenzimidazol-2-yl)oxolan-3-amine?
The IUPAC name of 4-(6-chloro-1-ethylbenzimidazol-2-yl)oxolan-3-amine (CID 113316577) is 4-(6-chloro-1-ethylbenzimidazol-2-yl)oxolan-3-amine.
What is the SMILES notation for 4-(6-chloro-1-ethylbenzimidazol-2-yl)oxolan-3-amine?
The canonical SMILES for 4-(6-chloro-1-ethylbenzimidazol-2-yl)oxolan-3-amine is CCn1c(C2COCC2N)nc2ccc(Cl)cc21.
What is the InChIKey of 4-(6-chloro-1-ethylbenzimidazol-2-yl)oxolan-3-amine?
The InChIKey is ZBHPUHYYQYAEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-2-17-12-5-8(14)3-4-11(12)16-13(17)9-6-18-7-10(9)15/h3-5,9-10H,2,6-7,15H2,1H3.
What are the key properties of 4-(6-chloro-1-ethylbenzimidazol-2-yl)oxolan-3-amine?
4-(6-chloro-1-ethylbenzimidazol-2-yl)oxolan-3-amine has a molecular weight of 265.74 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1-ethylbenzimidazol-2-yl)oxolan-3-amine is sourced from PubChem (CID 113316577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).