3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)phenol

C12H13N3O — CID 165470353

IUPAC3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)phenol
SMILESOc1cccc(C2NCCc3[nH]cnc32)c1
InChIInChI=1S/C12H13N3O/c16-9-3-1-2-8(6-9)11-12-10(4-5-13-11)14-7-15-12/h1-3,6-7,11,13,16H,4-5H2,(H,14,15)
InChIKeyMMEDPGXJAYUXSD-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.35
Rot. Bonds1

About 3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)phenol

3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)phenol (PubChem CID 165470353) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)phenol.

Molecular Properties

Compound Name3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)phenol
PubChem CID165470353
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)phenol
SMILESOc1cccc(C2NCCc3[nH]cnc32)c1
InChIInChI=1S/C12H13N3O/c16-9-3-1-2-8(6-9)11-12-10(4-5-13-11)14-7-15-12/h1-3,6-7,11,13,16H,4-5H2,(H,14,15)
InChIKeyMMEDPGXJAYUXSD-UHFFFAOYSA-N
XLogP1.35
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)phenol?
The IUPAC name of 3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)phenol (CID 165470353) is 3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)phenol.
What is the SMILES notation for 3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)phenol?
The canonical SMILES for 3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)phenol is Oc1cccc(C2NCCc3[nH]cnc32)c1.
What is the InChIKey of 3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)phenol?
The InChIKey is MMEDPGXJAYUXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-9-3-1-2-8(6-9)11-12-10(4-5-13-11)14-7-15-12/h1-3,6-7,11,13,16H,4-5H2,(H,14,15).
What are the key properties of 3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)phenol?
3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)phenol has a molecular weight of 215.26 g/mol, XLogP of 1.35, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)phenol is sourced from PubChem (CID 165470353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).