N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

C14H14N4O2 — CID 60815224

IUPACN-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCc1ccc(C#CCN)cc1NC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C14H14N4O2/c1-9-4-5-10(3-2-6-15)7-11(9)17-13(19)12-8-16-14(20)18-12/h4-5,7-8H,6,15H2,1H3,(H,17,19)(H2,16,18,20)
InChIKeyWEEMOURCJZLLHW-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.57
Rot. Bonds2

About N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 60815224) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID60815224
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCc1ccc(C#CCN)cc1NC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C14H14N4O2/c1-9-4-5-10(3-2-6-15)7-11(9)17-13(19)12-8-16-14(20)18-12/h4-5,7-8H,6,15H2,1H3,(H,17,19)(H2,16,18,20)
InChIKeyWEEMOURCJZLLHW-UHFFFAOYSA-N
XLogP0.57
TPSA103.77 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.57
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

3-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-1,1-diethylurea
CID 79161390
3-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-1-ethyl-1-methylurea
CID 79162677
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 60814218
N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]pyrrolidine-1-carboxamide
CID 79161151
N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-methylpentanamide
CID 60814231
N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002397
5-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 62960498
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-hydroxybenzamide
CID 60813882
N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-3,4,4-trimethylpentanamide
CID 63832250
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-4-methylbenzamide
CID 60805079
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-chlorobenzamide
CID 60813543
N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]morpholine-4-carboxamide
CID 79151985

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 60815224) is N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is Cc1ccc(C#CCN)cc1NC(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is WEEMOURCJZLLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9-4-5-10(3-2-6-15)7-11(9)17-13(19)12-8-16-14(20)18-12/h4-5,7-8H,6,15H2,1H3,(H,17,19)(H2,16,18,20).
What are the key properties of N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 0.57, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 60815224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).