(2R)-8-[(6-bromo-1H-benzimidazol-2-yl)amino]-1,2,3,4-tetrahydronaphthalen-2-ol

C17H16BrN3O — CID 129364845

IUPAC(2R)-8-[(6-bromo-1H-benzimidazol-2-yl)amino]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESO[C@@H]1CCc2cccc(Nc3nc4ccc(Br)cc4[nH]3)c2C1
InChIInChI=1S/C17H16BrN3O/c18-11-5-7-15-16(8-11)21-17(20-15)19-14-3-1-2-10-4-6-12(22)9-13(10)14/h1-3,5,7-8,12,22H,4,6,9H2,(H2,19,20,21)/t12-/m1/s1
InChIKeyGMTLMDXQFSBQLM-GFCCVEGCSA-N
MW358.24 g/mol
LogP3.92
Rot. Bonds2

About (2R)-8-[(6-bromo-1H-benzimidazol-2-yl)amino]-1,2,3,4-tetrahydronaphthalen-2-ol

(2R)-8-[(6-bromo-1H-benzimidazol-2-yl)amino]-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 129364845) has the molecular formula C17H16BrN3O and a molecular weight of 358.24 g/mol. Its IUPAC name is (2R)-8-[(6-bromo-1H-benzimidazol-2-yl)amino]-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2R)-8-[(6-bromo-1H-benzimidazol-2-yl)amino]-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID129364845
Molecular FormulaC17H16BrN3O
Molecular Weight358.24 g/mol
Exact Mass357.05
IUPAC Name(2R)-8-[(6-bromo-1H-benzimidazol-2-yl)amino]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESO[C@@H]1CCc2cccc(Nc3nc4ccc(Br)cc4[nH]3)c2C1
InChIInChI=1S/C17H16BrN3O/c18-11-5-7-15-16(8-11)21-17(20-15)19-14-3-1-2-10-4-6-12(22)9-13(10)14/h1-3,5,7-8,12,22H,4,6,9H2,(H2,19,20,21)/t12-/m1/s1
InChIKeyGMTLMDXQFSBQLM-GFCCVEGCSA-N
XLogP3.92
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-8-[(6-bromo-1H-benzimidazol-2-yl)amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (2R)-8-[(6-bromo-1H-benzimidazol-2-yl)amino]-1,2,3,4-tetrahydronaphthalen-2-ol (CID 129364845) is (2R)-8-[(6-bromo-1H-benzimidazol-2-yl)amino]-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (2R)-8-[(6-bromo-1H-benzimidazol-2-yl)amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (2R)-8-[(6-bromo-1H-benzimidazol-2-yl)amino]-1,2,3,4-tetrahydronaphthalen-2-ol is O[C@@H]1CCc2cccc(Nc3nc4ccc(Br)cc4[nH]3)c2C1.
What is the InChIKey of (2R)-8-[(6-bromo-1H-benzimidazol-2-yl)amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is GMTLMDXQFSBQLM-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16BrN3O/c18-11-5-7-15-16(8-11)21-17(20-15)19-14-3-1-2-10-4-6-12(22)9-13(10)14/h1-3,5,7-8,12,22H,4,6,9H2,(H2,19,20,21)/t12-/m1/s1.
What are the key properties of (2R)-8-[(6-bromo-1H-benzimidazol-2-yl)amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
(2R)-8-[(6-bromo-1H-benzimidazol-2-yl)amino]-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 358.24 g/mol, XLogP of 3.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-8-[(6-bromo-1H-benzimidazol-2-yl)amino]-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 129364845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).