N-[(3Z)-3-amino-3-hydroxyiminopropyl]-1-methyl-N-phenylimidazole-4-carboxamide

C14H17N5O2 — CID 107974128

IUPACN-[(3Z)-3-amino-3-hydroxyiminopropyl]-1-methyl-N-phenylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(CC/C(N)=N/O)c2ccccc2)c1
InChIInChI=1S/C14H17N5O2/c1-18-9-12(16-10-18)14(20)19(8-7-13(15)17-21)11-5-3-2-4-6-11/h2-6,9-10,21H,7-8H2,1H3,(H2,15,17)
InChIKeyPJNIOBZGQQFGDX-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.20
Rot. Bonds5

About N-[(3Z)-3-amino-3-hydroxyiminopropyl]-1-methyl-N-phenylimidazole-4-carboxamide

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-1-methyl-N-phenylimidazole-4-carboxamide (PubChem CID 107974128) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-1-methyl-N-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-1-methyl-N-phenylimidazole-4-carboxamide
PubChem CID107974128
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-1-methyl-N-phenylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(CC/C(N)=N/O)c2ccccc2)c1
InChIInChI=1S/C14H17N5O2/c1-18-9-12(16-10-18)14(20)19(8-7-13(15)17-21)11-5-3-2-4-6-11/h2-6,9-10,21H,7-8H2,1H3,(H2,15,17)
InChIKeyPJNIOBZGQQFGDX-UHFFFAOYSA-N
XLogP1.20
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-3-hydroxyiminopropyl)-2,2-dimethyl-N-phenylbutanamide
CID 76953544
N-(3-amino-3-hydroxyiminopropyl)-N-phenyl-3-propoxypropanamide
CID 76948308
N-(3-aminopropyl)-N-(4-methoxyphenyl)-1-methylimidazole-4-carboxamide
CID 107970800
1-(2-aminoethyl)-N-ethyl-N-phenylimidazole-4-carboxamide
CID 107495717
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide
CID 107974303
N-(2-bromophenyl)-N-butyl-1-methylimidazole-4-carboxamide
CID 10903810
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylpyrazole-3-carboxamide
CID 76977761
N'-hydroxy-3-(N-(4-methyl-3-oxopyrazin-2-yl)anilino)propanimidamide
CID 76981236
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N,1-dimethylpyrazole-3-carboxamide
CID 103121328
N-(3-amino-3-oxopropyl)-4-(dimethylamino)-N-phenylpyridine-2-carboxamide
CID 86804652
N-(4-amino-4-hydroxyiminobutan-2-yl)-1-methylimidazole-4-carboxamide
CID 107974224
N'-hydroxy-3-(N-(1-methyltetrazol-5-yl)anilino)propanimidamide
CID 55166554

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-1-methyl-N-phenylimidazole-4-carboxamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-1-methyl-N-phenylimidazole-4-carboxamide (CID 107974128) is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-1-methyl-N-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-1-methyl-N-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-1-methyl-N-phenylimidazole-4-carboxamide is Cn1cnc(C(=O)N(CC/C(N)=N/O)c2ccccc2)c1.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-1-methyl-N-phenylimidazole-4-carboxamide?
The InChIKey is PJNIOBZGQQFGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-18-9-12(16-10-18)14(20)19(8-7-13(15)17-21)11-5-3-2-4-6-11/h2-6,9-10,21H,7-8H2,1H3,(H2,15,17).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-1-methyl-N-phenylimidazole-4-carboxamide?
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-1-methyl-N-phenylimidazole-4-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-1-methyl-N-phenylimidazole-4-carboxamide is sourced from PubChem (CID 107974128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).