(1R)-2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-pyridin-3-ylethanol

C14H15N5O — CID 97124930

IUPAC(1R)-2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-pyridin-3-ylethanol
SMILESCn1ccnc1-c1nccn1C[C@H](O)c1cccnc1
InChIInChI=1S/C14H15N5O/c1-18-7-5-16-13(18)14-17-6-8-19(14)10-12(20)11-3-2-4-15-9-11/h2-9,12,20H,10H2,1H3/t12-/m0/s1
InChIKeyXLGBCWKMBPADPR-LBPRGKRZSA-N
MW269.31 g/mol
LogP1.41
Rot. Bonds4

About (1R)-2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-pyridin-3-ylethanol

(1R)-2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-pyridin-3-ylethanol (PubChem CID 97124930) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is (1R)-2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name(1R)-2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-pyridin-3-ylethanol
PubChem CID97124930
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name(1R)-2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-pyridin-3-ylethanol
SMILESCn1ccnc1-c1nccn1C[C@H](O)c1cccnc1
InChIInChI=1S/C14H15N5O/c1-18-7-5-16-13(18)14-17-6-8-19(14)10-12(20)11-3-2-4-15-9-11/h2-9,12,20H,10H2,1H3/t12-/m0/s1
InChIKeyXLGBCWKMBPADPR-LBPRGKRZSA-N
XLogP1.41
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-pyridin-3-ylethanol?
The IUPAC name of (1R)-2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-pyridin-3-ylethanol (CID 97124930) is (1R)-2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-pyridin-3-ylethanol.
What is the SMILES notation for (1R)-2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-pyridin-3-ylethanol?
The canonical SMILES for (1R)-2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-pyridin-3-ylethanol is Cn1ccnc1-c1nccn1C[C@H](O)c1cccnc1.
What is the InChIKey of (1R)-2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-pyridin-3-ylethanol?
The InChIKey is XLGBCWKMBPADPR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15N5O/c1-18-7-5-16-13(18)14-17-6-8-19(14)10-12(20)11-3-2-4-15-9-11/h2-9,12,20H,10H2,1H3/t12-/m0/s1.
What are the key properties of (1R)-2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-pyridin-3-ylethanol?
(1R)-2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-pyridin-3-ylethanol has a molecular weight of 269.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-pyridin-3-ylethanol is sourced from PubChem (CID 97124930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).