1-benzyl-3-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]thiourea;N-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]benzamide;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-(4-methylphenyl)thiourea;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]thiourea;1-[3-[1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea

C126H143F3N19O2P5S4 — CID 158864942

IUPAC1-benzyl-3-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]thiourea;N-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]benzamide;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-(4-methylphenyl)thiourea;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]thiourea;1-[3-[1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea
SMILESCOc1ccc(N2CCN(c3ccc(C)cc3)P2CCCNC(=S)Nc2ccccc2)cc1.Cc1cc(NC(=S)NCCCP2N(c3ccccc3)CCN2c2ccccc2)cc(C(F)(F)F)c1.Cc1ccc(NC(=S)NCCCP2N(c3ccccc3)CCN2c2ccccc2)cc1.O=C(NCCCP1N(c2ccccc2)CCN1c1ccccc1)c1ccccc1.S=C(NCCCP1N(c2ccccc2)CCN1c1ccccc1)NCc1ccccc1
InChIInChI=1S/C26H28F3N4PS.C26H31N4OPS.2C25H29N4PS.C24H26N3OP/c1-20-17-21(26(27,28)29)19-22(18-20)31-25(35)30-13-8-16-34-32(23-9-4-2-5-10-23)14-15-33(34)24-11-6-3-7-12-24;1-21-9-11-23(12-10-21)29-18-19-30(24-13-15-25(31-2)16-14-24)32(29)20-6-17-27-26(33)28-22-7-4-3-5-8-22;1-21-13-15-22(16-14-21)27-25(31)26-17-8-20-30-28(23-9-4-2-5-10-23)18-19-29(30)24-11-6-3-7-12-24;31-25(27-21-22-11-4-1-5-12-22)26-17-10-20-30-28(23-13-6-2-7-14-23)18-19-29(30)24-15-8-3-9-16-24;28-24(21-11-4-1-5-12-21)25-17-10-20-29-26(22-13-6-2-7-14-22)18-19-27(29)23-15-8-3-9-16-23/h2-7,9-12,17-19H,8,13-16H2,1H3,(H2,30,31,35);3-5,7-16H,6,17-20H2,1-2H3,(H2,27,28,33);2-7,9-16H,8,17-20H2,1H3,(H2,26,27,31);1-9,11-16H,10,17-21H2,(H2,26,27,31);1-9,11-16H,10,17-20H2,(H,25,28)
InChIKeyJBCLYJVFDAVWPY-UHFFFAOYSA-N
MW2295.79 g/mol
LogP29.58
Rot. Bonds37

About 1-benzyl-3-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]thiourea;N-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]benzamide;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-(4-methylphenyl)thiourea;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]thiourea;1-[3-[1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea

1-benzyl-3-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]thiourea;N-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]benzamide;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-(4-methylphenyl)thiourea;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]thiourea;1-[3-[1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea (PubChem CID 158864942) has the molecular formula C126H143F3N19O2P5S4 and a molecular weight of 2295.79 g/mol. Its IUPAC name is 1-benzyl-3-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]thiourea;N-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]benzamide;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-(4-methylphenyl)thiourea;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]thiourea;1-[3-[1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea.

Molecular Properties

Compound Name1-benzyl-3-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]thiourea;N-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]benzamide;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-(4-methylphenyl)thiourea;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]thiourea;1-[3-[1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea
PubChem CID158864942
Molecular FormulaC126H143F3N19O2P5S4
Molecular Weight2295.79 g/mol
Exact Mass2293.92
IUPAC Name1-benzyl-3-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]thiourea;N-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]benzamide;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-(4-methylphenyl)thiourea;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]thiourea;1-[3-[1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea
SMILESCOc1ccc(N2CCN(c3ccc(C)cc3)P2CCCNC(=S)Nc2ccccc2)cc1.Cc1cc(NC(=S)NCCCP2N(c3ccccc3)CCN2c2ccccc2)cc(C(F)(F)F)c1.Cc1ccc(NC(=S)NCCCP2N(c3ccccc3)CCN2c2ccccc2)cc1.O=C(NCCCP1N(c2ccccc2)CCN1c1ccccc1)c1ccccc1.S=C(NCCCP1N(c2ccccc2)CCN1c1ccccc1)NCc1ccccc1
InChIInChI=1S/C26H28F3N4PS.C26H31N4OPS.2C25H29N4PS.C24H26N3OP/c1-20-17-21(26(27,28)29)19-22(18-20)31-25(35)30-13-8-16-34-32(23-9-4-2-5-10-23)14-15-33(34)24-11-6-3-7-12-24;1-21-9-11-23(12-10-21)29-18-19-30(24-13-15-25(31-2)16-14-24)32(29)20-6-17-27-26(33)28-22-7-4-3-5-8-22;1-21-13-15-22(16-14-21)27-25(31)26-17-8-20-30-28(23-9-4-2-5-10-23)18-19-29(30)24-11-6-3-7-12-24;31-25(27-21-22-11-4-1-5-12-22)26-17-10-20-30-28(23-13-6-2-7-14-23)18-19-29(30)24-15-8-3-9-16-24;28-24(21-11-4-1-5-12-21)25-17-10-20-29-26(22-13-6-2-7-14-22)18-19-27(29)23-15-8-3-9-16-23/h2-7,9-12,17-19H,8,13-16H2,1H3,(H2,30,31,35);3-5,7-16H,6,17-20H2,1-2H3,(H2,27,28,33);2-7,9-16H,8,17-20H2,1H3,(H2,26,27,31);1-9,11-16H,10,17-21H2,(H2,26,27,31);1-9,11-16H,10,17-20H2,(H,25,28)
InChIKeyJBCLYJVFDAVWPY-UHFFFAOYSA-N
XLogP29.58
TPSA166.97 Ų
H-Bond Donors9
H-Bond Acceptors16
Rotatable Bonds37
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002295.79
LogP ≤ 529.58
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]thiourea;N-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]benzamide;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-(4-methylphenyl)thiourea;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]thiourea;1-[3-[1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea with MolForge

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Related Compounds

1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-(4-methylphenyl)thiourea
CID 134471129
N-benzyl-3-[(4-methoxyphenyl)carbamothioylamino]benzamide
CID 17262330
N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 32527019
1-[(4-methoxyphenyl)methyl]-3-[4-(4-methylphenoxy)phenyl]thiourea
CID 18290006
N-(benzylcarbamothioyl)-4-methoxybenzamide
CID 920618
4-methoxy-N-[4-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methylamino]-4-oxobutyl]benzamide
CID 55958304
methyl 4-[[4-(trifluoromethyl)phenyl]methylcarbamothioylamino]benzoate
CID 23642037
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 4149542
1-(4-methoxyphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
CID 43077091
1-[(3-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 100627942
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
N-[[4-(benzylcarbamoyl)phenyl]carbamothioyl]-5-bromo-2-methoxybenzamide
CID 28640143

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]thiourea;N-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]benzamide;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-(4-methylphenyl)thiourea;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]thiourea;1-[3-[1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea?
The IUPAC name of 1-benzyl-3-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]thiourea;N-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]benzamide;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-(4-methylphenyl)thiourea;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]thiourea;1-[3-[1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea (CID 158864942) is 1-benzyl-3-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]thiourea;N-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]benzamide;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-(4-methylphenyl)thiourea;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]thiourea;1-[3-[1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea.
What is the SMILES notation for 1-benzyl-3-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]thiourea;N-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]benzamide;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-(4-methylphenyl)thiourea;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]thiourea;1-[3-[1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea?
The canonical SMILES for 1-benzyl-3-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]thiourea;N-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]benzamide;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-(4-methylphenyl)thiourea;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]thiourea;1-[3-[1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea is COc1ccc(N2CCN(c3ccc(C)cc3)P2CCCNC(=S)Nc2ccccc2)cc1.Cc1cc(NC(=S)NCCCP2N(c3ccccc3)CCN2c2ccccc2)cc(C(F)(F)F)c1.Cc1ccc(NC(=S)NCCCP2N(c3ccccc3)CCN2c2ccccc2)cc1.O=C(NCCCP1N(c2ccccc2)CCN1c1ccccc1)c1ccccc1.S=C(NCCCP1N(c2ccccc2)CCN1c1ccccc1)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]thiourea;N-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]benzamide;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-(4-methylphenyl)thiourea;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]thiourea;1-[3-[1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea?
The InChIKey is JBCLYJVFDAVWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N4PS.C26H31N4OPS.2C25H29N4PS.C24H26N3OP/c1-20-17-21(26(27,28)29)19-22(18-20)31-25(35)30-13-8-16-34-32(23-9-4-2-5-10-23)14-15-33(34)24-11-6-3-7-12-24;1-21-9-11-23(12-10-21)29-18-19-30(24-13-15-25(31-2)16-14-24)32(29)20-6-17-27-26(33)28-22-7-4-3-5-8-22;1-21-13-15-22(16-14-21)27-25(31)26-17-8-20-30-28(23-9-4-2-5-10-23)18-19-29(30)24-11-6-3-7-12-24;31-25(27-21-22-11-4-1-5-12-22)26-17-10-20-30-28(23-13-6-2-7-14-23)18-19-29(30)24-15-8-3-9-16-24;28-24(21-11-4-1-5-12-21)25-17-10-20-29-26(22-13-6-2-7-14-22)18-19-27(29)23-15-8-3-9-16-23/h2-7,9-12,17-19H,8,13-16H2,1H3,(H2,30,31,35);3-5,7-16H,6,17-20H2,1-2H3,(H2,27,28,33);2-7,9-16H,8,17-20H2,1H3,(H2,26,27,31);1-9,11-16H,10,17-21H2,(H2,26,27,31);1-9,11-16H,10,17-20H2,(H,25,28).
What are the key properties of 1-benzyl-3-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]thiourea;N-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]benzamide;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-(4-methylphenyl)thiourea;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]thiourea;1-[3-[1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea?
1-benzyl-3-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]thiourea;N-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]benzamide;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-(4-methylphenyl)thiourea;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]thiourea;1-[3-[1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea has a molecular weight of 2295.79 g/mol, XLogP of 29.58, 37 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]thiourea;N-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]benzamide;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-(4-methylphenyl)thiourea;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]thiourea;1-[3-[1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea is sourced from PubChem (CID 158864942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).