1-(2-hydroxy-5-naphthalen-2-ylpentyl)imidazole-4-carboxamide

C19H21N3O2 — CID 22628538

IUPAC1-(2-hydroxy-5-naphthalen-2-ylpentyl)imidazole-4-carboxamide
SMILESNC(=O)c1cn(CC(O)CCCc2ccc3ccccc3c2)cn1
InChIInChI=1S/C19H21N3O2/c20-19(24)18-12-22(13-21-18)11-17(23)7-3-4-14-8-9-15-5-1-2-6-16(15)10-14/h1-2,5-6,8-10,12-13,17,23H,3-4,7,11H2,(H2,20,24)
InChIKeyWNSVRXXIAROGAL-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.52
Rot. Bonds7

About 1-(2-hydroxy-5-naphthalen-2-ylpentyl)imidazole-4-carboxamide

1-(2-hydroxy-5-naphthalen-2-ylpentyl)imidazole-4-carboxamide (PubChem CID 22628538) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-(2-hydroxy-5-naphthalen-2-ylpentyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxy-5-naphthalen-2-ylpentyl)imidazole-4-carboxamide
PubChem CID22628538
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-(2-hydroxy-5-naphthalen-2-ylpentyl)imidazole-4-carboxamide
SMILESNC(=O)c1cn(CC(O)CCCc2ccc3ccccc3c2)cn1
InChIInChI=1S/C19H21N3O2/c20-19(24)18-12-22(13-21-18)11-17(23)7-3-4-14-8-9-15-5-1-2-6-16(15)10-14/h1-2,5-6,8-10,12-13,17,23H,3-4,7,11H2,(H2,20,24)
InChIKeyWNSVRXXIAROGAL-UHFFFAOYSA-N
XLogP2.52
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-naphthalen-2-ylpentyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-hydroxy-5-naphthalen-2-ylpentyl)imidazole-4-carboxamide (CID 22628538) is 1-(2-hydroxy-5-naphthalen-2-ylpentyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-hydroxy-5-naphthalen-2-ylpentyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-hydroxy-5-naphthalen-2-ylpentyl)imidazole-4-carboxamide is NC(=O)c1cn(CC(O)CCCc2ccc3ccccc3c2)cn1.
What is the InChIKey of 1-(2-hydroxy-5-naphthalen-2-ylpentyl)imidazole-4-carboxamide?
The InChIKey is WNSVRXXIAROGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c20-19(24)18-12-22(13-21-18)11-17(23)7-3-4-14-8-9-15-5-1-2-6-16(15)10-14/h1-2,5-6,8-10,12-13,17,23H,3-4,7,11H2,(H2,20,24).
What are the key properties of 1-(2-hydroxy-5-naphthalen-2-ylpentyl)imidazole-4-carboxamide?
1-(2-hydroxy-5-naphthalen-2-ylpentyl)imidazole-4-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-naphthalen-2-ylpentyl)imidazole-4-carboxamide is sourced from PubChem (CID 22628538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).