formaldehyde;formamide;N-[3-[(2-formyl-1-methylimidazol-4-yl)amino]-3-oxopropyl]-1-methyl-4-[1-methyl-4-[3-[(1-methylpyrrole-2-carbonyl)amino]propanoylamino]imidazol-2-yl]pyrrole-2-carboxamide;methanamine;1-methyl-4-[3-[1-methyl-4-(methylamino)pyrrol-2-yl]propanoylamino]imidazole-2-carboxylic acid;methylphosphane

C45H66N17O10P — CID 170622981

About formaldehyde;formamide;N-[3-[(2-formyl-1-methylimidazol-4-yl)amino]-3-oxopropyl]-1-methyl-4-[1-methyl-4-[3-[(1-methylpyrrole-2-carbonyl)amino]propanoylamino]imidazol-2-yl]pyrrole-2-carboxamide;methanamine;1-methyl-4-[3-[1-methyl-4-(methylamino)pyrrol-2-yl]propanoylamino]imidazole-2-carboxylic acid;methylphosphane

formaldehyde;formamide;N-[3-[(2-formyl-1-methylimidazol-4-yl)amino]-3-oxopropyl]-1-methyl-4-[1-methyl-4-[3-[(1-methylpyrrole-2-carbonyl)amino]propanoylamino]imidazol-2-yl]pyrrole-2-carboxamide;methanamine;1-methyl-4-[3-[1-methyl-4-(methylamino)pyrrol-2-yl]propanoylamino]imidazole-2-carboxylic acid;methylphosphane (PubChem CID 170622981) has the molecular formula C45H66N17O10P and a molecular weight of 1036.11 g/mol. Its IUPAC name is formaldehyde;formamide;N-[3-[(2-formyl-1-methylimidazol-4-yl)amino]-3-oxopropyl]-1-methyl-4-[1-methyl-4-[3-[(1-methylpyrrole-2-carbonyl)amino]propanoylamino]imidazol-2-yl]pyrrole-2-carboxamide;methanamine;1-methyl-4-[3-[1-methyl-4-(methylamino)pyrrol-2-yl]propanoylamino]imidazole-2-carboxylic acid;methylphosphane.

Molecular Properties

• Compound Name: formaldehyde;formamide;N-[3-[(2-formyl-1-methylimidazol-4-yl)amino]-3-oxopropyl]-1-methyl-4-[1-methyl-4-[3-[(1-methylpyrrole-2-carbonyl)amino]propanoylamino]imidazol-2-yl]pyrrole-2-carboxamide;methanamine;1-methyl-4-[3-[1-methyl-4-(methylamino)pyrrol-2-yl]propanoylamino]imidazole-2-carboxylic acid;methylphosphane
• PubChem CID: 170622981
• Molecular Formula: C45H66N17O10P
• Molecular Weight: 1036.11 g/mol
• Exact Mass: 1035.49
• IUPAC Name: formaldehyde;formamide;N-[3-[(2-formyl-1-methylimidazol-4-yl)amino]-3-oxopropyl]-1-methyl-4-[1-methyl-4-[3-[(1-methylpyrrole-2-carbonyl)amino]propanoylamino]imidazol-2-yl]pyrrole-2-carboxamide;methanamine;1-methyl-4-[3-[1-methyl-4-(methylamino)pyrrol-2-yl]propanoylamino]imidazole-2-carboxylic acid;methylphosphane
• SMILES: C=O.CN.CNc1cc(CCC(=O)Nc2cn(C)c(C(=O)O)n2)n(C)c1.CP.Cn1cc(-c2nc(NC(=O)CCNC(=O)c3cccn3C)cn2C)cc1C(=O)NCCC(=O)Nc1cn(C)c(C=O)n1.NC=O
• InChI: InChI=1S/C27H32N10O5.C14H19N5O3.CH3NO.CH5N.CH2O.CH5P/c1-34-11-5-6-18(34)26(41)28-9-7-24(40)32-21-15-37(4)25(33-21)17-12-19(35(2)13-17)27(42)29-10-8-23(39)31-20-14-36(3)22(16-38)30-20;1-15-9-6-10(18(2)7-9)4-5-12(20)16-11-8-19(3)13(17-11)14(21)22;2-1-3;3*1-2/h5-6,11-16H,7-10H2,1-4H3,(H,28,41)(H,29,42)(H,31,39)(H,32,40);6-8,15H,4-5H2,1-3H3,(H,16,20)(H,21,22);1H,(H2,2,3);2H2,1H3;1H2;2H2,1H3
• InChIKey: NWPFZVNAIAJKMB-UHFFFAOYSA-N
• XLogP: 0.88
• TPSA: 366.33 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1036.11
LogP ≤ 5	0.88
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of formaldehyde;formamide;N-[3-[(2-formyl-1-methylimidazol-4-yl)amino]-3-oxopropyl]-1-methyl-4-[1-methyl-4-[3-[(1-methylpyrrole-2-carbonyl)amino]propanoylamino]imidazol-2-yl]pyrrole-2-carboxamide;methanamine;1-methyl-4-[3-[1-methyl-4-(methylamino)pyrrol-2-yl]propanoylamino]imidazole-2-carboxylic acid;methylphosphane?

The IUPAC name of formaldehyde;formamide;N-[3-[(2-formyl-1-methylimidazol-4-yl)amino]-3-oxopropyl]-1-methyl-4-[1-methyl-4-[3-[(1-methylpyrrole-2-carbonyl)amino]propanoylamino]imidazol-2-yl]pyrrole-2-carboxamide;methanamine;1-methyl-4-[3-[1-methyl-4-(methylamino)pyrrol-2-yl]propanoylamino]imidazole-2-carboxylic acid;methylphosphane (CID 170622981) is formaldehyde;formamide;N-[3-[(2-formyl-1-methylimidazol-4-yl)amino]-3-oxopropyl]-1-methyl-4-[1-methyl-4-[3-[(1-methylpyrrole-2-carbonyl)amino]propanoylamino]imidazol-2-yl]pyrrole-2-carboxamide;methanamine;1-methyl-4-[3-[1-methyl-4-(methylamino)pyrrol-2-yl]propanoylamino]imidazole-2-carboxylic acid;methylphosphane.

What is the SMILES notation for formaldehyde;formamide;N-[3-[(2-formyl-1-methylimidazol-4-yl)amino]-3-oxopropyl]-1-methyl-4-[1-methyl-4-[3-[(1-methylpyrrole-2-carbonyl)amino]propanoylamino]imidazol-2-yl]pyrrole-2-carboxamide;methanamine;1-methyl-4-[3-[1-methyl-4-(methylamino)pyrrol-2-yl]propanoylamino]imidazole-2-carboxylic acid;methylphosphane?

The canonical SMILES for formaldehyde;formamide;N-[3-[(2-formyl-1-methylimidazol-4-yl)amino]-3-oxopropyl]-1-methyl-4-[1-methyl-4-[3-[(1-methylpyrrole-2-carbonyl)amino]propanoylamino]imidazol-2-yl]pyrrole-2-carboxamide;methanamine;1-methyl-4-[3-[1-methyl-4-(methylamino)pyrrol-2-yl]propanoylamino]imidazole-2-carboxylic acid;methylphosphane is C=O.CN.CNc1cc(CCC(=O)Nc2cn(C)c(C(=O)O)n2)n(C)c1.CP.Cn1cc(-c2nc(NC(=O)CCNC(=O)c3cccn3C)cn2C)cc1C(=O)NCCC(=O)Nc1cn(C)c(C=O)n1.NC=O.

What is the InChIKey of formaldehyde;formamide;N-[3-[(2-formyl-1-methylimidazol-4-yl)amino]-3-oxopropyl]-1-methyl-4-[1-methyl-4-[3-[(1-methylpyrrole-2-carbonyl)amino]propanoylamino]imidazol-2-yl]pyrrole-2-carboxamide;methanamine;1-methyl-4-[3-[1-methyl-4-(methylamino)pyrrol-2-yl]propanoylamino]imidazole-2-carboxylic acid;methylphosphane?

The InChIKey is NWPFZVNAIAJKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N10O5.C14H19N5O3.CH3NO.CH5N.CH2O.CH5P/c1-34-11-5-6-18(34)26(41)28-9-7-24(40)32-21-15-37(4)25(33-21)17-12-19(35(2)13-17)27(42)29-10-8-23(39)31-20-14-36(3)22(16-38)30-20;1-15-9-6-10(18(2)7-9)4-5-12(20)16-11-8-19(3)13(17-11)14(21)22;2-1-3;3*1-2/h5-6,11-16H,7-10H2,1-4H3,(H,28,41)(H,29,42)(H,31,39)(H,32,40);6-8,15H,4-5H2,1-3H3,(H,16,20)(H,21,22);1H,(H2,2,3);2H2,1H3;1H2;2H2,1H3.

What are the key properties of formaldehyde;formamide;N-[3-[(2-formyl-1-methylimidazol-4-yl)amino]-3-oxopropyl]-1-methyl-4-[1-methyl-4-[3-[(1-methylpyrrole-2-carbonyl)amino]propanoylamino]imidazol-2-yl]pyrrole-2-carboxamide;methanamine;1-methyl-4-[3-[1-methyl-4-(methylamino)pyrrol-2-yl]propanoylamino]imidazole-2-carboxylic acid;methylphosphane?

formaldehyde;formamide;N-[3-[(2-formyl-1-methylimidazol-4-yl)amino]-3-oxopropyl]-1-methyl-4-[1-methyl-4-[3-[(1-methylpyrrole-2-carbonyl)amino]propanoylamino]imidazol-2-yl]pyrrole-2-carboxamide;methanamine;1-methyl-4-[3-[1-methyl-4-(methylamino)pyrrol-2-yl]propanoylamino]imidazole-2-carboxylic acid;methylphosphane has a molecular weight of 1036.11 g/mol, XLogP of 0.88, 18 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for formaldehyde;formamide;N-[3-[(2-formyl-1-methylimidazol-4-yl)amino]-3-oxopropyl]-1-methyl-4-[1-methyl-4-[3-[(1-methylpyrrole-2-carbonyl)amino]propanoylamino]imidazol-2-yl]pyrrole-2-carboxamide;methanamine;1-methyl-4-[3-[1-methyl-4-(methylamino)pyrrol-2-yl]propanoylamino]imidazole-2-carboxylic acid;methylphosphane is sourced from PubChem (CID 170622981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).