(3-phenylpropylamino)-(4-pyridin-3-ylimidazol-1-yl)methanol

C18H20N4O — CID 167270018

IUPAC(3-phenylpropylamino)-(4-pyridin-3-ylimidazol-1-yl)methanol
SMILESOC(NCCCc1ccccc1)n1cnc(-c2cccnc2)c1
InChIInChI=1S/C18H20N4O/c23-18(20-11-4-8-15-6-2-1-3-7-15)22-13-17(21-14-22)16-9-5-10-19-12-16/h1-3,5-7,9-10,12-14,18,20,23H,4,8,11H2
InChIKeyVTTORKDJASCDSF-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.62
Rot. Bonds7

About (3-phenylpropylamino)-(4-pyridin-3-ylimidazol-1-yl)methanol

(3-phenylpropylamino)-(4-pyridin-3-ylimidazol-1-yl)methanol (PubChem CID 167270018) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is (3-phenylpropylamino)-(4-pyridin-3-ylimidazol-1-yl)methanol.

Molecular Properties

Compound Name(3-phenylpropylamino)-(4-pyridin-3-ylimidazol-1-yl)methanol
PubChem CID167270018
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name(3-phenylpropylamino)-(4-pyridin-3-ylimidazol-1-yl)methanol
SMILESOC(NCCCc1ccccc1)n1cnc(-c2cccnc2)c1
InChIInChI=1S/C18H20N4O/c23-18(20-11-4-8-15-6-2-1-3-7-15)22-13-17(21-14-22)16-9-5-10-19-12-16/h1-3,5-7,9-10,12-14,18,20,23H,4,8,11H2
InChIKeyVTTORKDJASCDSF-UHFFFAOYSA-N
XLogP2.62
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-phenylpropylamino)-(4-pyridin-3-ylimidazol-1-yl)methanol?
The IUPAC name of (3-phenylpropylamino)-(4-pyridin-3-ylimidazol-1-yl)methanol (CID 167270018) is (3-phenylpropylamino)-(4-pyridin-3-ylimidazol-1-yl)methanol.
What is the SMILES notation for (3-phenylpropylamino)-(4-pyridin-3-ylimidazol-1-yl)methanol?
The canonical SMILES for (3-phenylpropylamino)-(4-pyridin-3-ylimidazol-1-yl)methanol is OC(NCCCc1ccccc1)n1cnc(-c2cccnc2)c1.
What is the InChIKey of (3-phenylpropylamino)-(4-pyridin-3-ylimidazol-1-yl)methanol?
The InChIKey is VTTORKDJASCDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c23-18(20-11-4-8-15-6-2-1-3-7-15)22-13-17(21-14-22)16-9-5-10-19-12-16/h1-3,5-7,9-10,12-14,18,20,23H,4,8,11H2.
What are the key properties of (3-phenylpropylamino)-(4-pyridin-3-ylimidazol-1-yl)methanol?
(3-phenylpropylamino)-(4-pyridin-3-ylimidazol-1-yl)methanol has a molecular weight of 308.39 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylpropylamino)-(4-pyridin-3-ylimidazol-1-yl)methanol is sourced from PubChem (CID 167270018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).