N-(2-cyclobutylpropan-2-yl)-5-[(Z)-4-iminopent-2-en-2-yl]-1H-imidazole-2-carboxamide

C16H24N4O — CID 137245436

IUPACN-(2-cyclobutylpropan-2-yl)-5-[(Z)-4-iminopent-2-en-2-yl]-1H-imidazole-2-carboxamide
SMILES[H]/N=C(C)/C=C(/C)c1cnc(C(=O)NC(C)(C)C2CCC2)[nH]1
InChIInChI=1S/C16H24N4O/c1-10(8-11(2)17)13-9-18-14(19-13)15(21)20-16(3,4)12-6-5-7-12/h8-9,12,17H,5-7H2,1-4H3,(H,18,19)(H,20,21)/b10-8-,17-11+
InChIKeyXYOHPSGOWDGSSV-NERVOECZSA-N
MW288.39 g/mol
LogP3.16
Rot. Bonds5

About N-(2-cyclobutylpropan-2-yl)-5-[(Z)-4-iminopent-2-en-2-yl]-1H-imidazole-2-carboxamide

N-(2-cyclobutylpropan-2-yl)-5-[(Z)-4-iminopent-2-en-2-yl]-1H-imidazole-2-carboxamide (PubChem CID 137245436) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(2-cyclobutylpropan-2-yl)-5-[(Z)-4-iminopent-2-en-2-yl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclobutylpropan-2-yl)-5-[(Z)-4-iminopent-2-en-2-yl]-1H-imidazole-2-carboxamide
PubChem CID137245436
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-(2-cyclobutylpropan-2-yl)-5-[(Z)-4-iminopent-2-en-2-yl]-1H-imidazole-2-carboxamide
SMILES[H]/N=C(C)/C=C(/C)c1cnc(C(=O)NC(C)(C)C2CCC2)[nH]1
InChIInChI=1S/C16H24N4O/c1-10(8-11(2)17)13-9-18-14(19-13)15(21)20-16(3,4)12-6-5-7-12/h8-9,12,17H,5-7H2,1-4H3,(H,18,19)(H,20,21)/b10-8-,17-11+
InChIKeyXYOHPSGOWDGSSV-NERVOECZSA-N
XLogP3.16
TPSA81.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylpropan-2-yl)-5-[(Z)-4-iminopent-2-en-2-yl]-1H-imidazole-2-carboxamide?
The IUPAC name of N-(2-cyclobutylpropan-2-yl)-5-[(Z)-4-iminopent-2-en-2-yl]-1H-imidazole-2-carboxamide (CID 137245436) is N-(2-cyclobutylpropan-2-yl)-5-[(Z)-4-iminopent-2-en-2-yl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-(2-cyclobutylpropan-2-yl)-5-[(Z)-4-iminopent-2-en-2-yl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N-(2-cyclobutylpropan-2-yl)-5-[(Z)-4-iminopent-2-en-2-yl]-1H-imidazole-2-carboxamide is [H]/N=C(C)/C=C(/C)c1cnc(C(=O)NC(C)(C)C2CCC2)[nH]1.
What is the InChIKey of N-(2-cyclobutylpropan-2-yl)-5-[(Z)-4-iminopent-2-en-2-yl]-1H-imidazole-2-carboxamide?
The InChIKey is XYOHPSGOWDGSSV-NERVOECZSA-N. The full InChI is InChI=1S/C16H24N4O/c1-10(8-11(2)17)13-9-18-14(19-13)15(21)20-16(3,4)12-6-5-7-12/h8-9,12,17H,5-7H2,1-4H3,(H,18,19)(H,20,21)/b10-8-,17-11+.
What are the key properties of N-(2-cyclobutylpropan-2-yl)-5-[(Z)-4-iminopent-2-en-2-yl]-1H-imidazole-2-carboxamide?
N-(2-cyclobutylpropan-2-yl)-5-[(Z)-4-iminopent-2-en-2-yl]-1H-imidazole-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylpropan-2-yl)-5-[(Z)-4-iminopent-2-en-2-yl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 137245436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).