(2R,3R,4S,5S)-2-[5,6-dichloro-2-(propylamino)benzimidazol-1-yl]-5-methyloxolane-3,4-diol

C15H19Cl2N3O3 — CID 70687178

IUPAC(2R,3R,4S,5S)-2-[5,6-dichloro-2-(propylamino)benzimidazol-1-yl]-5-methyloxolane-3,4-diol
SMILESCCCNc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@@H](C)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H19Cl2N3O3/c1-3-4-18-15-19-10-5-8(16)9(17)6-11(10)20(15)14-13(22)12(21)7(2)23-14/h5-7,12-14,21-22H,3-4H2,1-2H3,(H,18,19)/t7-,12+,13+,14+/m0/s1
InChIKeyPWFPFJATJGPVDV-MBQMLJSQSA-N
MW360.24 g/mol
LogP2.80
Rot. Bonds4

About (2R,3R,4S,5S)-2-[5,6-dichloro-2-(propylamino)benzimidazol-1-yl]-5-methyloxolane-3,4-diol

(2R,3R,4S,5S)-2-[5,6-dichloro-2-(propylamino)benzimidazol-1-yl]-5-methyloxolane-3,4-diol (PubChem CID 70687178) has the molecular formula C15H19Cl2N3O3 and a molecular weight of 360.24 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-[5,6-dichloro-2-(propylamino)benzimidazol-1-yl]-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-[5,6-dichloro-2-(propylamino)benzimidazol-1-yl]-5-methyloxolane-3,4-diol
PubChem CID70687178
Molecular FormulaC15H19Cl2N3O3
Molecular Weight360.24 g/mol
Exact Mass359.08
IUPAC Name(2R,3R,4S,5S)-2-[5,6-dichloro-2-(propylamino)benzimidazol-1-yl]-5-methyloxolane-3,4-diol
SMILESCCCNc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@@H](C)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H19Cl2N3O3/c1-3-4-18-15-19-10-5-8(16)9(17)6-11(10)20(15)14-13(22)12(21)7(2)23-14/h5-7,12-14,21-22H,3-4H2,1-2H3,(H,18,19)/t7-,12+,13+,14+/m0/s1
InChIKeyPWFPFJATJGPVDV-MBQMLJSQSA-N
XLogP2.80
TPSA79.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4S,5S)-2-[5,6-dichloro-2-(propylamino)benzimidazol-1-yl]-5-methyloxolane-3,4-diol 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 (2R,3R,4S,5S)-2-[5,6-dichloro-2-(propylamino)benzimidazol-1-yl]-5-methyloxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5S)-2-[5,6-dichloro-2-(propylamino)benzimidazol-1-yl]-5-methyloxolane-3,4-diol (CID 70687178) is (2R,3R,4S,5S)-2-[5,6-dichloro-2-(propylamino)benzimidazol-1-yl]-5-methyloxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5S)-2-[5,6-dichloro-2-(propylamino)benzimidazol-1-yl]-5-methyloxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5S)-2-[5,6-dichloro-2-(propylamino)benzimidazol-1-yl]-5-methyloxolane-3,4-diol is CCCNc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@@H](C)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S)-2-[5,6-dichloro-2-(propylamino)benzimidazol-1-yl]-5-methyloxolane-3,4-diol?
The InChIKey is PWFPFJATJGPVDV-MBQMLJSQSA-N. The full InChI is InChI=1S/C15H19Cl2N3O3/c1-3-4-18-15-19-10-5-8(16)9(17)6-11(10)20(15)14-13(22)12(21)7(2)23-14/h5-7,12-14,21-22H,3-4H2,1-2H3,(H,18,19)/t7-,12+,13+,14+/m0/s1.
What are the key properties of (2R,3R,4S,5S)-2-[5,6-dichloro-2-(propylamino)benzimidazol-1-yl]-5-methyloxolane-3,4-diol?
(2R,3R,4S,5S)-2-[5,6-dichloro-2-(propylamino)benzimidazol-1-yl]-5-methyloxolane-3,4-diol has a molecular weight of 360.24 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-[5,6-dichloro-2-(propylamino)benzimidazol-1-yl]-5-methyloxolane-3,4-diol is sourced from PubChem (CID 70687178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).