(2R)-1-(benzimidazol-1-yl)-3-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol

C20H28N2O2 — CID 51471286

IUPAC(2R)-1-(benzimidazol-1-yl)-3-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
SMILESCC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)Cn1cnc3ccccc31)C2
InChIInChI=1S/C20H28N2O2/c1-19(2)14-8-9-20(19,3)18(10-14)24-12-15(23)11-22-13-21-16-6-4-5-7-17(16)22/h4-7,13-15,18,23H,8-12H2,1-3H3/t14-,15+,18+,20+/m0/s1
InChIKeyKOPUXMCGTDGOQD-QHDJUILOSA-N
MW328.46 g/mol
LogP3.63
Rot. Bonds5

About (2R)-1-(benzimidazol-1-yl)-3-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol

(2R)-1-(benzimidazol-1-yl)-3-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol (PubChem CID 51471286) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (2R)-1-(benzimidazol-1-yl)-3-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(benzimidazol-1-yl)-3-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
PubChem CID51471286
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(2R)-1-(benzimidazol-1-yl)-3-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
SMILESCC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)Cn1cnc3ccccc31)C2
InChIInChI=1S/C20H28N2O2/c1-19(2)14-8-9-20(19,3)18(10-14)24-12-15(23)11-22-13-21-16-6-4-5-7-17(16)22/h4-7,13-15,18,23H,8-12H2,1-3H3/t14-,15+,18+,20+/m0/s1
InChIKeyKOPUXMCGTDGOQD-QHDJUILOSA-N
XLogP3.63
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(benzimidazol-1-yl)-3-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-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 (2R)-1-(benzimidazol-1-yl)-3-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol?
The IUPAC name of (2R)-1-(benzimidazol-1-yl)-3-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol (CID 51471286) is (2R)-1-(benzimidazol-1-yl)-3-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol.
What is the SMILES notation for (2R)-1-(benzimidazol-1-yl)-3-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol?
The canonical SMILES for (2R)-1-(benzimidazol-1-yl)-3-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol is CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)Cn1cnc3ccccc31)C2.
What is the InChIKey of (2R)-1-(benzimidazol-1-yl)-3-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol?
The InChIKey is KOPUXMCGTDGOQD-QHDJUILOSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-19(2)14-8-9-20(19,3)18(10-14)24-12-15(23)11-22-13-21-16-6-4-5-7-17(16)22/h4-7,13-15,18,23H,8-12H2,1-3H3/t14-,15+,18+,20+/m0/s1.
What are the key properties of (2R)-1-(benzimidazol-1-yl)-3-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol?
(2R)-1-(benzimidazol-1-yl)-3-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol has a molecular weight of 328.46 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(benzimidazol-1-yl)-3-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol is sourced from PubChem (CID 51471286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).