N-[1-[6-(5-amino-1,3,4-oxadiazol-2-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;di(imidazol-1-yl)methanimine;molecular hydrogen

C74H78N20O4 — CID 159935955

About N-[1-[6-(5-amino-1,3,4-oxadiazol-2-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;di(imidazol-1-yl)methanimine;molecular hydrogen

N-[1-[6-(5-amino-1,3,4-oxadiazol-2-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;di(imidazol-1-yl)methanimine;molecular hydrogen (PubChem CID 159935955) has the molecular formula C74H78N20O4 and a molecular weight of 1311.57 g/mol. Its IUPAC name is N-[1-[6-(5-amino-1,3,4-oxadiazol-2-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;di(imidazol-1-yl)methanimine;molecular hydrogen.

Molecular Properties

• Compound Name: N-[1-[6-(5-amino-1,3,4-oxadiazol-2-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;di(imidazol-1-yl)methanimine;molecular hydrogen
• PubChem CID: 159935955
• Molecular Formula: C74H78N20O4
• Molecular Weight: 1311.57 g/mol
• Exact Mass: 1310.65
• IUPAC Name: N-[1-[6-(5-amino-1,3,4-oxadiazol-2-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;di(imidazol-1-yl)methanimine;molecular hydrogen
• SMILES: Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccccn5)n(C)c4c3)CCC2)nc2ccc(-c3nnc(N)o3)cc21.Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccccn5)n(C)c4c3)CCC2)nc2ccc(C(=O)NN)cc21.[H]N=C(n1ccnc1)n1ccnc1.[H][H]
• InChI: InChI=1S/C34H34N8O2.C33H35N7O2.C7H7N5.H2/c1-41-26-18-21(11-13-23(26)28(20-8-3-4-9-20)29(41)25-10-5-6-17-36-25)30(43)38-34(15-7-16-34)32-37-24-14-12-22(19-27(24)42(32)2)31-39-40-33(35)44-31;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;8-7(11-3-1-9-5-11)12-4-2-10-6-12;/h5-6,10-14,17-20H,3-4,7-9,15-16H2,1-2H3,(H2,35,40)(H,38,43);5-6,10-14,17-20H,3-4,7-9,15-16,34H2,1-2H3,(H,37,41)(H,38,42);1-6,8H;1H
• InChIKey: OAGDTHPZEWHULJ-UHFFFAOYSA-N
• XLogP: 12.08
• TPSA: 309.03 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1311.57
LogP ≤ 5	12.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(5-amino-1,3,4-oxadiazol-2-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;di(imidazol-1-yl)methanimine;molecular hydrogen?

The IUPAC name of N-[1-[6-(5-amino-1,3,4-oxadiazol-2-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;di(imidazol-1-yl)methanimine;molecular hydrogen (CID 159935955) is N-[1-[6-(5-amino-1,3,4-oxadiazol-2-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;di(imidazol-1-yl)methanimine;molecular hydrogen.

What is the SMILES notation for N-[1-[6-(5-amino-1,3,4-oxadiazol-2-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;di(imidazol-1-yl)methanimine;molecular hydrogen?

The canonical SMILES for N-[1-[6-(5-amino-1,3,4-oxadiazol-2-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;di(imidazol-1-yl)methanimine;molecular hydrogen is Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccccn5)n(C)c4c3)CCC2)nc2ccc(-c3nnc(N)o3)cc21.Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccccn5)n(C)c4c3)CCC2)nc2ccc(C(=O)NN)cc21.[H]N=C(n1ccnc1)n1ccnc1.[H][H].

What is the InChIKey of N-[1-[6-(5-amino-1,3,4-oxadiazol-2-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;di(imidazol-1-yl)methanimine;molecular hydrogen?

The InChIKey is OAGDTHPZEWHULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N8O2.C33H35N7O2.C7H7N5.H2/c1-41-26-18-21(11-13-23(26)28(20-8-3-4-9-20)29(41)25-10-5-6-17-36-25)30(43)38-34(15-7-16-34)32-37-24-14-12-22(19-27(24)42(32)2)31-39-40-33(35)44-31;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;8-7(11-3-1-9-5-11)12-4-2-10-6-12;/h5-6,10-14,17-20H,3-4,7-9,15-16H2,1-2H3,(H2,35,40)(H,38,43);5-6,10-14,17-20H,3-4,7-9,15-16,34H2,1-2H3,(H,37,41)(H,38,42);1-6,8H;1H.

What are the key properties of N-[1-[6-(5-amino-1,3,4-oxadiazol-2-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;di(imidazol-1-yl)methanimine;molecular hydrogen?

N-[1-[6-(5-amino-1,3,4-oxadiazol-2-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;di(imidazol-1-yl)methanimine;molecular hydrogen has a molecular weight of 1311.57 g/mol, XLogP of 12.08, 12 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[6-(5-amino-1,3,4-oxadiazol-2-yl)-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carboxamide;3-cyclopentyl-N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methyl-2-pyridin-2-ylindole-6-carboxamide;di(imidazol-1-yl)methanimine;molecular hydrogen is sourced from PubChem (CID 159935955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).