2-hydroxy-3-(1H-imidazol-5-ylmethyl)-N'-propan-2-ylbenzenecarboximidamide

C14H18N4O — CID 3074850

IUPAC2-hydroxy-3-(1H-imidazol-5-ylmethyl)-N'-propan-2-ylbenzenecarboximidamide
SMILESCC(C)/N=C(\N)c1cccc(Cc2cnc[nH]2)c1O
InChIInChI=1S/C14H18N4O/c1-9(2)18-14(15)12-5-3-4-10(13(12)19)6-11-7-16-8-17-11/h3-5,7-9,19H,6H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyQOUDMYPZWDOWNS-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.82
Rot. Bonds4

About 2-hydroxy-3-(1H-imidazol-5-ylmethyl)-N'-propan-2-ylbenzenecarboximidamide

2-hydroxy-3-(1H-imidazol-5-ylmethyl)-N'-propan-2-ylbenzenecarboximidamide (PubChem CID 3074850) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-hydroxy-3-(1H-imidazol-5-ylmethyl)-N'-propan-2-ylbenzenecarboximidamide.

Molecular Properties

Compound Name2-hydroxy-3-(1H-imidazol-5-ylmethyl)-N'-propan-2-ylbenzenecarboximidamide
PubChem CID3074850
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-hydroxy-3-(1H-imidazol-5-ylmethyl)-N'-propan-2-ylbenzenecarboximidamide
SMILESCC(C)/N=C(\N)c1cccc(Cc2cnc[nH]2)c1O
InChIInChI=1S/C14H18N4O/c1-9(2)18-14(15)12-5-3-4-10(13(12)19)6-11-7-16-8-17-11/h3-5,7-9,19H,6H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyQOUDMYPZWDOWNS-UHFFFAOYSA-N
XLogP1.82
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-hydroxy-3-(1H-imidazol-5-ylmethyl)-N'-propan-2-ylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(1H-imidazol-5-ylmethyl)-N'-propan-2-ylbenzenecarboximidamide?
The IUPAC name of 2-hydroxy-3-(1H-imidazol-5-ylmethyl)-N'-propan-2-ylbenzenecarboximidamide (CID 3074850) is 2-hydroxy-3-(1H-imidazol-5-ylmethyl)-N'-propan-2-ylbenzenecarboximidamide.
What is the SMILES notation for 2-hydroxy-3-(1H-imidazol-5-ylmethyl)-N'-propan-2-ylbenzenecarboximidamide?
The canonical SMILES for 2-hydroxy-3-(1H-imidazol-5-ylmethyl)-N'-propan-2-ylbenzenecarboximidamide is CC(C)/N=C(\N)c1cccc(Cc2cnc[nH]2)c1O.
What is the InChIKey of 2-hydroxy-3-(1H-imidazol-5-ylmethyl)-N'-propan-2-ylbenzenecarboximidamide?
The InChIKey is QOUDMYPZWDOWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9(2)18-14(15)12-5-3-4-10(13(12)19)6-11-7-16-8-17-11/h3-5,7-9,19H,6H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 2-hydroxy-3-(1H-imidazol-5-ylmethyl)-N'-propan-2-ylbenzenecarboximidamide?
2-hydroxy-3-(1H-imidazol-5-ylmethyl)-N'-propan-2-ylbenzenecarboximidamide has a molecular weight of 258.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(1H-imidazol-5-ylmethyl)-N'-propan-2-ylbenzenecarboximidamide is sourced from PubChem (CID 3074850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).