N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

C13H10ClN3O3 — CID 81262739

IUPACN-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C#CCO)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C13H10ClN3O3/c14-9-3-4-10(8(6-9)2-1-5-18)16-12(19)11-7-15-13(20)17-11/h3-4,6-7,18H,5H2,(H,16,19)(H2,15,17,20)
InChIKeySCHFRVAFUVRBLF-UHFFFAOYSA-N
MW291.69 g/mol
LogP0.95
Rot. Bonds2

About N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 81262739) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID81262739
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC NameN-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C#CCO)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C13H10ClN3O3/c14-9-3-4-10(8(6-9)2-1-5-18)16-12(19)11-7-15-13(20)17-11/h3-4,6-7,18H,5H2,(H,16,19)(H2,15,17,20)
InChIKeySCHFRVAFUVRBLF-UHFFFAOYSA-N
XLogP0.95
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrrole-2-carboxamide
CID 81262734
4-chloro-N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 81260265
N-(2-bromo-4-chlorophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 81271762
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide
CID 81252736
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 81259426
4,5-dichloro-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-1H-pyrrole-2-carboxamide
CID 60805065
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 81269287
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-methylthiophene-3-carboxamide
CID 81263641
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide
CID 81263552
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-propoxyacetamide
CID 107940393
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybutanamide
CID 81263304
N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide
CID 81269110

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 81262739) is N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is O=C(Nc1ccc(Cl)cc1C#CCO)c1c[nH]c(=O)[nH]1.
What is the InChIKey of N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is SCHFRVAFUVRBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c14-9-3-4-10(8(6-9)2-1-5-18)16-12(19)11-7-15-13(20)17-11/h3-4,6-7,18H,5H2,(H,16,19)(H2,15,17,20).
What are the key properties of N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 291.69 g/mol, XLogP of 0.95, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 81262739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).