N-[3-[1-[[(5Z,6E)-5-butylidene-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-2-(1-fluoroethyl)-1H-imidazole-5-carboxamide;propane

C28H41FN5OP — CID 155750118

IUPACN-[3-[1-[[(5Z,6E)-5-butylidene-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-2-(1-fluoroethyl)-1H-imidazole-5-carboxamide;propane
SMILESCC/C=C1/N=CC(NC(C)c2cccc(NC(=O)c3cnc(C(C)F)[nH]3)c2)P/C1=C\CCC.CCC
InChIInChI=1S/C25H33FN5OP.C3H8/c1-5-7-12-22-20(9-6-2)27-15-23(33-22)29-17(4)18-10-8-11-19(13-18)30-25(32)21-14-28-24(31-21)16(3)26;1-3-2/h8-17,23,29,33H,5-7H2,1-4H3,(H,28,31)(H,30,32);3H2,1-2H3/b20-9+,22-12-;
InChIKeyRNTMUWUBHCMNBI-MAZCFVPJSA-N
MW513.64 g/mol
LogP7.83
Rot. Bonds9

About N-[3-[1-[[(5Z,6E)-5-butylidene-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-2-(1-fluoroethyl)-1H-imidazole-5-carboxamide;propane

N-[3-[1-[[(5Z,6E)-5-butylidene-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-2-(1-fluoroethyl)-1H-imidazole-5-carboxamide;propane (PubChem CID 155750118) has the molecular formula C28H41FN5OP and a molecular weight of 513.64 g/mol. Its IUPAC name is N-[3-[1-[[(5Z,6E)-5-butylidene-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-2-(1-fluoroethyl)-1H-imidazole-5-carboxamide;propane.

Molecular Properties

Compound NameN-[3-[1-[[(5Z,6E)-5-butylidene-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-2-(1-fluoroethyl)-1H-imidazole-5-carboxamide;propane
PubChem CID155750118
Molecular FormulaC28H41FN5OP
Molecular Weight513.64 g/mol
Exact Mass513.30
IUPAC NameN-[3-[1-[[(5Z,6E)-5-butylidene-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-2-(1-fluoroethyl)-1H-imidazole-5-carboxamide;propane
SMILESCC/C=C1/N=CC(NC(C)c2cccc(NC(=O)c3cnc(C(C)F)[nH]3)c2)P/C1=C\CCC.CCC
InChIInChI=1S/C25H33FN5OP.C3H8/c1-5-7-12-22-20(9-6-2)27-15-23(33-22)29-17(4)18-10-8-11-19(13-18)30-25(32)21-14-28-24(31-21)16(3)26;1-3-2/h8-17,23,29,33H,5-7H2,1-4H3,(H,28,31)(H,30,32);3H2,1-2H3/b20-9+,22-12-;
InChIKeyRNTMUWUBHCMNBI-MAZCFVPJSA-N
XLogP7.83
TPSA82.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 57.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[1-[[(5Z,6E)-5-butylidene-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-2-(1-fluoroethyl)-1H-imidazole-5-carboxamide;propane with MolForge

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Related Compounds

2-cyclopropyl-N-[3-[1-[[(5Z,6E)-5-(3-methylbutylidene)-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide;propane
CID 155750477
5-chloro-N-[3-[1-[[(5Z,6E)-6-ethylidene-5-(3-methylbutylidene)-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]pyridine-3-carboxamide;propane
CID 155750061
N-[3-[1-[[(6E)-6-butylidene-5-methylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-6-(2-methoxyethylamino)-5-methylpyridine-3-carboxamide
CID 155750241
N-[3-[1-[[(6E)-5-methylidene-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-2,3-dihydro-1,3-benzoxazole-6-carboxamide
CID 155750667
N-[(1S)-1-(3-benzamidophenyl)ethyl]-2-methyl-1H-imidazole-5-carboxamide
CID 95979650
N-[3-[1-(ethylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide
CID 55182293
N-[3-[1-[[(5E)-5-butylidene-6-methylidenepyrazin-2-yl]amino]ethyl]phenyl]-6-(cyclopropylamino)-5-methylpyridine-3-carboxamide;ethane;propane
CID 155750502
N-[3-[1-(ethylamino)ethyl]phenyl]-6-methylpyridine-2-carboxamide
CID 43507835
1-[3-[1-(methylamino)ethyl]phenyl]-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 106283450
N-[3-[1-(1-cyclopropylpropylamino)ethyl]phenyl]acetamide
CID 64917961
N-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 87003800
N-[3-[1-[(2-cyclohexylacetyl)amino]ethyl]phenyl]benzamide
CID 46456437

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[(5Z,6E)-5-butylidene-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-2-(1-fluoroethyl)-1H-imidazole-5-carboxamide;propane?
The IUPAC name of N-[3-[1-[[(5Z,6E)-5-butylidene-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-2-(1-fluoroethyl)-1H-imidazole-5-carboxamide;propane (CID 155750118) is N-[3-[1-[[(5Z,6E)-5-butylidene-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-2-(1-fluoroethyl)-1H-imidazole-5-carboxamide;propane.
What is the SMILES notation for N-[3-[1-[[(5Z,6E)-5-butylidene-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-2-(1-fluoroethyl)-1H-imidazole-5-carboxamide;propane?
The canonical SMILES for N-[3-[1-[[(5Z,6E)-5-butylidene-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-2-(1-fluoroethyl)-1H-imidazole-5-carboxamide;propane is CC/C=C1/N=CC(NC(C)c2cccc(NC(=O)c3cnc(C(C)F)[nH]3)c2)P/C1=C\CCC.CCC.
What is the InChIKey of N-[3-[1-[[(5Z,6E)-5-butylidene-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-2-(1-fluoroethyl)-1H-imidazole-5-carboxamide;propane?
The InChIKey is RNTMUWUBHCMNBI-MAZCFVPJSA-N. The full InChI is InChI=1S/C25H33FN5OP.C3H8/c1-5-7-12-22-20(9-6-2)27-15-23(33-22)29-17(4)18-10-8-11-19(13-18)30-25(32)21-14-28-24(31-21)16(3)26;1-3-2/h8-17,23,29,33H,5-7H2,1-4H3,(H,28,31)(H,30,32);3H2,1-2H3/b20-9+,22-12-;.
What are the key properties of N-[3-[1-[[(5Z,6E)-5-butylidene-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-2-(1-fluoroethyl)-1H-imidazole-5-carboxamide;propane?
N-[3-[1-[[(5Z,6E)-5-butylidene-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-2-(1-fluoroethyl)-1H-imidazole-5-carboxamide;propane has a molecular weight of 513.64 g/mol, XLogP of 7.83, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[[(5Z,6E)-5-butylidene-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-2-(1-fluoroethyl)-1H-imidazole-5-carboxamide;propane is sourced from PubChem (CID 155750118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).