tert-butyl N-aminocarbamate;tert-butyl N-[[2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carbonyl]amino]carbamate;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carboxylic acid;di(imidazol-1-yl)methanone

C151H166N32O14 — CID 159681129

About tert-butyl N-aminocarbamate;tert-butyl N-[[2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carbonyl]amino]carbamate;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carboxylic acid;di(imidazol-1-yl)methanone

tert-butyl N-aminocarbamate;tert-butyl N-[[2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carbonyl]amino]carbamate;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carboxylic acid;di(imidazol-1-yl)methanone (PubChem CID 159681129) has the molecular formula C151H166N32O14 and a molecular weight of 2653.20 g/mol. Its IUPAC name is tert-butyl N-aminocarbamate;tert-butyl N-[[2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carbonyl]amino]carbamate;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carboxylic acid;di(imidazol-1-yl)methanone.

Molecular Properties

• Compound Name: tert-butyl N-aminocarbamate;tert-butyl N-[[2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carbonyl]amino]carbamate;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carboxylic acid;di(imidazol-1-yl)methanone
• PubChem CID: 159681129
• Molecular Formula: C151H166N32O14
• Molecular Weight: 2653.20 g/mol
• Exact Mass: 2651.33
• IUPAC Name: tert-butyl N-aminocarbamate;tert-butyl N-[[2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carbonyl]amino]carbamate;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carboxylic acid;di(imidazol-1-yl)methanone
• SMILES: CC(C)(C)OC(=O)NN.CC1NN=C(c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccccn7)n(C)c6c5)CCC4)n(C)c3c2)O1.Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccccn5)n(C)c4c3)CCC2)nc2ccc(C(=O)NN)cc21.Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccccn5)n(C)c4c3)CCC2)nc2ccc(C(=O)NNC(=O)OC(C)(C)C)cc21.Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccccn5)n(C)c4c3)CCC2)nc2ccc(C(=O)O)cc21.O=C(n1ccnc1)n1ccnc1
• InChI: InChI=1S/C38H43N7O4.C35H37N7O2.C33H35N7O2.C33H33N5O3.C7H6N4O.C5H12N2O2/c1-37(2,3)49-36(48)43-42-34(47)25-15-17-27-30(22-25)45(5)35(40-27)38(18-10-19-38)41-33(46)24-14-16-26-29(21-24)44(4)32(28-13-8-9-20-39-28)31(26)23-11-6-7-12-23;1-21-39-40-33(44-21)24-13-15-26-29(20-24)42(3)34(37-26)35(16-8-17-35)38-32(43)23-12-14-25-28(19-23)41(2)31(27-11-6-7-18-36-27)30(25)22-9-4-5-10-22;1-39-26-18-21(11-13-23(26)28(20-8-3-4-9-20)29(39)25-10-5-6-17-35-25)30(41)37-33(15-7-16-33)32-36-24-14-12-22(31(42)38-34)19-27(24)40(32)2;1-37-26-18-21(11-13-23(26)28(20-8-3-4-9-20)29(37)25-10-5-6-17-34-25)30(39)36-33(15-7-16-33)32-35-24-14-12-22(31(40)41)19-27(24)38(32)2;12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-5(2,3)9-4(8)7-6/h8-9,13-17,20-23H,6-7,10-12,18-19H2,1-5H3,(H,41,46)(H,42,47)(H,43,48);6-7,11-15,18-22,39H,4-5,8-10,16-17H2,1-3H3,(H,38,43);5-6,10-14,17-20H,3-4,7-9,15-16,34H2,1-2H3,(H,37,41)(H,38,42);5-6,10-14,17-20H,3-4,7-9,15-16H2,1-2H3,(H,36,39)(H,40,41);1-6H;6H2,1-3H3,(H,7,8)
• InChIKey: MVFIFYUNGLRZEH-UHFFFAOYSA-N
• XLogP: 25.45
• TPSA: 569.49 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 37
• Rotatable Bonds: 24
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2653.20
LogP ≤ 5	25.45
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-aminocarbamate;tert-butyl N-[[2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carbonyl]amino]carbamate;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carboxylic acid;di(imidazol-1-yl)methanone?

The IUPAC name of tert-butyl N-aminocarbamate;tert-butyl N-[[2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carbonyl]amino]carbamate;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carboxylic acid;di(imidazol-1-yl)methanone (CID 159681129) is tert-butyl N-aminocarbamate;tert-butyl N-[[2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carbonyl]amino]carbamate;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carboxylic acid;di(imidazol-1-yl)methanone.

What is the SMILES notation for tert-butyl N-aminocarbamate;tert-butyl N-[[2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carbonyl]amino]carbamate;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carboxylic acid;di(imidazol-1-yl)methanone?

The canonical SMILES for tert-butyl N-aminocarbamate;tert-butyl N-[[2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carbonyl]amino]carbamate;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carboxylic acid;di(imidazol-1-yl)methanone is CC(C)(C)OC(=O)NN.CC1NN=C(c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccccn7)n(C)c6c5)CCC4)n(C)c3c2)O1.Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccccn5)n(C)c4c3)CCC2)nc2ccc(C(=O)NN)cc21.Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccccn5)n(C)c4c3)CCC2)nc2ccc(C(=O)NNC(=O)OC(C)(C)C)cc21.Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccccn5)n(C)c4c3)CCC2)nc2ccc(C(=O)O)cc21.O=C(n1ccnc1)n1ccnc1.

What is the InChIKey of tert-butyl N-aminocarbamate;tert-butyl N-[[2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carbonyl]amino]carbamate;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carboxylic acid;di(imidazol-1-yl)methanone?

The InChIKey is MVFIFYUNGLRZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43N7O4.C35H37N7O2.C33H35N7O2.C33H33N5O3.C7H6N4O.C5H12N2O2/c1-37(2,3)49-36(48)43-42-34(47)25-15-17-27-30(22-25)45(5)35(40-27)38(18-10-19-38)41-33(46)24-14-16-26-29(21-24)44(4)32(28-13-8-9-20-39-28)31(26)23-11-6-7-12-23;1-21-39-40-33(44-21)24-13-15-26-29(20-24)42(3)34(37-26)35(16-8-17-35)38-32(43)23-12-14-25-28(19-23)41(2)31(27-11-6-7-18-36-27)30(25)22-9-4-5-10-22;1-39-26-18-21(11-13-23(26)28(20-8-3-4-9-20)29(39)25-10-5-6-17-35-25)30(41)37-33(15-7-16-33)32-36-24-14-12-22(31(42)38-34)19-27(24)40(32)2;1-37-26-18-21(11-13-23(26)28(20-8-3-4-9-20)29(37)25-10-5-6-17-34-25)30(39)36-33(15-7-16-33)32-35-24-14-12-22(31(40)41)19-27(24)38(32)2;12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-5(2,3)9-4(8)7-6/h8-9,13-17,20-23H,6-7,10-12,18-19H2,1-5H3,(H,41,46)(H,42,47)(H,43,48);6-7,11-15,18-22,39H,4-5,8-10,16-17H2,1-3H3,(H,38,43);5-6,10-14,17-20H,3-4,7-9,15-16,34H2,1-2H3,(H,37,41)(H,38,42);5-6,10-14,17-20H,3-4,7-9,15-16H2,1-2H3,(H,36,39)(H,40,41);1-6H;6H2,1-3H3,(H,7,8).

What are the key properties of tert-butyl N-aminocarbamate;tert-butyl N-[[2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carbonyl]amino]carbamate;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carboxylic acid;di(imidazol-1-yl)methanone?

tert-butyl N-aminocarbamate;tert-butyl N-[[2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carbonyl]amino]carbamate;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carboxylic acid;di(imidazol-1-yl)methanone has a molecular weight of 2653.20 g/mol, XLogP of 25.45, 24 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-aminocarbamate;tert-butyl N-[[2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carbonyl]amino]carbamate;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide;2-[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutyl]-3-methylbenzimidazole-5-carboxylic acid;di(imidazol-1-yl)methanone is sourced from PubChem (CID 159681129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).