N-(cyclopropanecarbonyl)-5-[(Z)-4-imino-5-methylhex-2-en-2-yl]-1H-imidazole-2-carboxamide

C15H20N4O2 — CID 145397815

IUPACN-(cyclopropanecarbonyl)-5-[(Z)-4-imino-5-methylhex-2-en-2-yl]-1H-imidazole-2-carboxamide
SMILES[H]/N=C(/C=C(/C)c1cnc(C(=O)NC(=O)C2CC2)[nH]1)C(C)C
InChIInChI=1S/C15H20N4O2/c1-8(2)11(16)6-9(3)12-7-17-13(18-12)15(21)19-14(20)10-4-5-10/h6-8,10,16H,4-5H2,1-3H3,(H,17,18)(H,19,20,21)/b9-6-,16-11-
InChIKeyFSZCPIIZLFWGRK-QGXWJFJISA-N
MW288.35 g/mol
LogP2.16
Rot. Bonds5

About N-(cyclopropanecarbonyl)-5-[(Z)-4-imino-5-methylhex-2-en-2-yl]-1H-imidazole-2-carboxamide

N-(cyclopropanecarbonyl)-5-[(Z)-4-imino-5-methylhex-2-en-2-yl]-1H-imidazole-2-carboxamide (PubChem CID 145397815) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(cyclopropanecarbonyl)-5-[(Z)-4-imino-5-methylhex-2-en-2-yl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropanecarbonyl)-5-[(Z)-4-imino-5-methylhex-2-en-2-yl]-1H-imidazole-2-carboxamide
PubChem CID145397815
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-(cyclopropanecarbonyl)-5-[(Z)-4-imino-5-methylhex-2-en-2-yl]-1H-imidazole-2-carboxamide
SMILES[H]/N=C(/C=C(/C)c1cnc(C(=O)NC(=O)C2CC2)[nH]1)C(C)C
InChIInChI=1S/C15H20N4O2/c1-8(2)11(16)6-9(3)12-7-17-13(18-12)15(21)19-14(20)10-4-5-10/h6-8,10,16H,4-5H2,1-3H3,(H,17,18)(H,19,20,21)/b9-6-,16-11-
InChIKeyFSZCPIIZLFWGRK-QGXWJFJISA-N
XLogP2.16
TPSA98.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-[2-(3-iminobut-1-enyl)-1H-imidazol-5-yl]cyclopropanecarboxamide
CID 136654320
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N-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]cyclopropanecarboxamide
CID 43663626
N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113035182
4-hydroxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide
CID 99973871
4-hydroxy-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide
CID 77084654
N-(2-propan-2-yl-1,3-thiazol-5-yl)cyclopropanecarboxamide
CID 169320687
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-methyl-1H-imidazole-2-carboxamide
CID 99960135
2-[(E)-1-bromo-3-iminobut-1-enyl]-1H-imidazole-5-carbonitrile
CID 145314883
N-[7-[(Z,4Z)-4-butan-2-ylidene-5-hydroxy-2-methyloct-2-enimidoyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171555925

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropanecarbonyl)-5-[(Z)-4-imino-5-methylhex-2-en-2-yl]-1H-imidazole-2-carboxamide?
The IUPAC name of N-(cyclopropanecarbonyl)-5-[(Z)-4-imino-5-methylhex-2-en-2-yl]-1H-imidazole-2-carboxamide (CID 145397815) is N-(cyclopropanecarbonyl)-5-[(Z)-4-imino-5-methylhex-2-en-2-yl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-(cyclopropanecarbonyl)-5-[(Z)-4-imino-5-methylhex-2-en-2-yl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N-(cyclopropanecarbonyl)-5-[(Z)-4-imino-5-methylhex-2-en-2-yl]-1H-imidazole-2-carboxamide is [H]/N=C(/C=C(/C)c1cnc(C(=O)NC(=O)C2CC2)[nH]1)C(C)C.
What is the InChIKey of N-(cyclopropanecarbonyl)-5-[(Z)-4-imino-5-methylhex-2-en-2-yl]-1H-imidazole-2-carboxamide?
The InChIKey is FSZCPIIZLFWGRK-QGXWJFJISA-N. The full InChI is InChI=1S/C15H20N4O2/c1-8(2)11(16)6-9(3)12-7-17-13(18-12)15(21)19-14(20)10-4-5-10/h6-8,10,16H,4-5H2,1-3H3,(H,17,18)(H,19,20,21)/b9-6-,16-11-.
What are the key properties of N-(cyclopropanecarbonyl)-5-[(Z)-4-imino-5-methylhex-2-en-2-yl]-1H-imidazole-2-carboxamide?
N-(cyclopropanecarbonyl)-5-[(Z)-4-imino-5-methylhex-2-en-2-yl]-1H-imidazole-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropanecarbonyl)-5-[(Z)-4-imino-5-methylhex-2-en-2-yl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 145397815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).