5-ethyl-1-methylimidazole;5,5,7,7-tetramethyl-N-[4-(3-methylimidazol-4-yl)-2-oxobutyl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-[(5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carbonyl)amino]acetic acid

C50H62N8O7 — CID 158743789

About 5-ethyl-1-methylimidazole;5,5,7,7-tetramethyl-N-[4-(3-methylimidazol-4-yl)-2-oxobutyl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-[(5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carbonyl)amino]acetic acid

5-ethyl-1-methylimidazole;5,5,7,7-tetramethyl-N-[4-(3-methylimidazol-4-yl)-2-oxobutyl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-[(5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carbonyl)amino]acetic acid (PubChem CID 158743789) has the molecular formula C50H62N8O7 and a molecular weight of 887.09 g/mol. Its IUPAC name is 5-ethyl-1-methylimidazole;5,5,7,7-tetramethyl-N-[4-(3-methylimidazol-4-yl)-2-oxobutyl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-[(5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carbonyl)amino]acetic acid.

Molecular Properties

• Compound Name: 5-ethyl-1-methylimidazole;5,5,7,7-tetramethyl-N-[4-(3-methylimidazol-4-yl)-2-oxobutyl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-[(5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carbonyl)amino]acetic acid
• PubChem CID: 158743789
• Molecular Formula: C50H62N8O7
• Molecular Weight: 887.09 g/mol
• Exact Mass: 886.47
• IUPAC Name: 5-ethyl-1-methylimidazole;5,5,7,7-tetramethyl-N-[4-(3-methylimidazol-4-yl)-2-oxobutyl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-[(5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carbonyl)amino]acetic acid
• SMILES: CC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)NCC(=O)O)cc23)C1=O.CCc1cncn1C.Cn1cncc1CCC(=O)CNC(=O)c1ccc2[nH]c3c(c2c1)C(C)(C)CC(C)(C)C3=O
• InChI: InChI=1S/C25H30N4O3.C19H22N2O4.C6H10N2/c1-24(2)13-25(3,4)22(31)21-20(24)18-10-15(6-9-19(18)28-21)23(32)27-12-17(30)8-7-16-11-26-14-29(16)5;1-18(2)9-19(3,4)16(24)15-14(18)11-7-10(5-6-12(11)21-15)17(25)20-8-13(22)23;1-3-6-4-7-5-8(6)2/h6,9-11,14,28H,7-8,12-13H2,1-5H3,(H,27,32);5-7,21H,8-9H2,1-4H3,(H,20,25)(H,22,23);4-5H,3H2,1-2H3
• InChIKey: IMQBHHOGNLCXHZ-UHFFFAOYSA-N
• XLogP: 7.58
• TPSA: 213.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	887.09
LogP ≤ 5	7.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methylimidazole;5,5,7,7-tetramethyl-N-[4-(3-methylimidazol-4-yl)-2-oxobutyl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-[(5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carbonyl)amino]acetic acid?

The IUPAC name of 5-ethyl-1-methylimidazole;5,5,7,7-tetramethyl-N-[4-(3-methylimidazol-4-yl)-2-oxobutyl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-[(5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carbonyl)amino]acetic acid (CID 158743789) is 5-ethyl-1-methylimidazole;5,5,7,7-tetramethyl-N-[4-(3-methylimidazol-4-yl)-2-oxobutyl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-[(5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carbonyl)amino]acetic acid.

What is the SMILES notation for 5-ethyl-1-methylimidazole;5,5,7,7-tetramethyl-N-[4-(3-methylimidazol-4-yl)-2-oxobutyl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-[(5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carbonyl)amino]acetic acid?

The canonical SMILES for 5-ethyl-1-methylimidazole;5,5,7,7-tetramethyl-N-[4-(3-methylimidazol-4-yl)-2-oxobutyl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-[(5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carbonyl)amino]acetic acid is CC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)NCC(=O)O)cc23)C1=O.CCc1cncn1C.Cn1cncc1CCC(=O)CNC(=O)c1ccc2[nH]c3c(c2c1)C(C)(C)CC(C)(C)C3=O.

What is the InChIKey of 5-ethyl-1-methylimidazole;5,5,7,7-tetramethyl-N-[4-(3-methylimidazol-4-yl)-2-oxobutyl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-[(5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carbonyl)amino]acetic acid?

The InChIKey is IMQBHHOGNLCXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3.C19H22N2O4.C6H10N2/c1-24(2)13-25(3,4)22(31)21-20(24)18-10-15(6-9-19(18)28-21)23(32)27-12-17(30)8-7-16-11-26-14-29(16)5;1-18(2)9-19(3,4)16(24)15-14(18)11-7-10(5-6-12(11)21-15)17(25)20-8-13(22)23;1-3-6-4-7-5-8(6)2/h6,9-11,14,28H,7-8,12-13H2,1-5H3,(H,27,32);5-7,21H,8-9H2,1-4H3,(H,20,25)(H,22,23);4-5H,3H2,1-2H3.

What are the key properties of 5-ethyl-1-methylimidazole;5,5,7,7-tetramethyl-N-[4-(3-methylimidazol-4-yl)-2-oxobutyl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-[(5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carbonyl)amino]acetic acid?

5-ethyl-1-methylimidazole;5,5,7,7-tetramethyl-N-[4-(3-methylimidazol-4-yl)-2-oxobutyl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-[(5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carbonyl)amino]acetic acid has a molecular weight of 887.09 g/mol, XLogP of 7.58, 10 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-1-methylimidazole;5,5,7,7-tetramethyl-N-[4-(3-methylimidazol-4-yl)-2-oxobutyl]-8-oxo-6,9-dihydrocarbazole-3-carboxamide;2-[(5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 158743789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).