(1S,2R)-1-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol

C15H14N4O — CID 155911838

IUPAC(1S,2R)-1-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol
SMILESO[C@@H]1Cc2ccccc2[C@@H]1n1ccnc1-c1cnc[nH]1
InChIInChI=1S/C15H14N4O/c20-13-7-10-3-1-2-4-11(10)14(13)19-6-5-17-15(19)12-8-16-9-18-12/h1-6,8-9,13-14,20H,7H2,(H,16,18)/t13-,14+/m1/s1
InChIKeyJJCBSDBHNCZGOQ-KGLIPLIRSA-N
MW266.30 g/mol
LogP1.78
Rot. Bonds2

About (1S,2R)-1-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol

(1S,2R)-1-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol (PubChem CID 155911838) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is (1S,2R)-1-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol
PubChem CID155911838
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name(1S,2R)-1-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol
SMILESO[C@@H]1Cc2ccccc2[C@@H]1n1ccnc1-c1cnc[nH]1
InChIInChI=1S/C15H14N4O/c20-13-7-10-3-1-2-4-11(10)14(13)19-6-5-17-15(19)12-8-16-9-18-12/h1-6,8-9,13-14,20H,7H2,(H,16,18)/t13-,14+/m1/s1
InChIKeyJJCBSDBHNCZGOQ-KGLIPLIRSA-N
XLogP1.78
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1S,2R)-1-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol (CID 155911838) is (1S,2R)-1-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1S,2R)-1-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1S,2R)-1-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol is O[C@@H]1Cc2ccccc2[C@@H]1n1ccnc1-c1cnc[nH]1.
What is the InChIKey of (1S,2R)-1-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is JJCBSDBHNCZGOQ-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H14N4O/c20-13-7-10-3-1-2-4-11(10)14(13)19-6-5-17-15(19)12-8-16-9-18-12/h1-6,8-9,13-14,20H,7H2,(H,16,18)/t13-,14+/m1/s1.
What are the key properties of (1S,2R)-1-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol?
(1S,2R)-1-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 266.30 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 155911838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).