N-[2-(4-hydroxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide

C12H15N3O2 — CID 91901970

IUPACN-[2-(4-hydroxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)C1=NCCN1
InChIInChI=1S/C12H15N3O2/c16-10-3-1-9(2-4-10)5-6-15-12(17)11-13-7-8-14-11/h1-4,16H,5-8H2,(H,13,14)(H,15,17)
InChIKeyHQYTWIWPMLKAHA-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.05
Rot. Bonds4

About N-[2-(4-hydroxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 91901970) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide
PubChem CID91901970
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)C1=NCCN1
InChIInChI=1S/C12H15N3O2/c16-10-3-1-9(2-4-10)5-6-15-12(17)11-13-7-8-14-11/h1-4,16H,5-8H2,(H,13,14)(H,15,17)
InChIKeyHQYTWIWPMLKAHA-UHFFFAOYSA-N
XLogP0.05
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91901972
3-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 39310617
N-[2-(4-hydroxyphenyl)ethyl]-2H-triazole-4-carboxamide
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3-hydrazinyl-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide
CID 105071676
2,6-difluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
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2,6-dichloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide
CID 61237115
2-[2-(4-hydroxyphenyl)ethylcarbamoylamino]acetic acid
CID 61236394
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
N-[2-(4-hydroxyphenyl)ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 104640447
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998665
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]furan-2-carboxamide
CID 54903867
N-[2-(4-hydroxyphenyl)ethyl]naphthalene-2-carboxamide
CID 6624490

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide (CID 91901970) is N-[2-(4-hydroxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide is O=C(NCCc1ccc(O)cc1)C1=NCCN1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is HQYTWIWPMLKAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-10-3-1-9(2-4-10)5-6-15-12(17)11-13-7-8-14-11/h1-4,16H,5-8H2,(H,13,14)(H,15,17).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 91901970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).