benzyl 4-[2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;benzyl 4-[2-ethoxycarbonyl-4-(oxan-4-yl)butanoyl]piperidine-1-carboxylate;(6-chloro-1H-benzimidazol-2-yl)hydrazine

C62H76Cl2N10O10 — CID 167634995

About benzyl 4-[2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;benzyl 4-[2-ethoxycarbonyl-4-(oxan-4-yl)butanoyl]piperidine-1-carboxylate;(6-chloro-1H-benzimidazol-2-yl)hydrazine

benzyl 4-[2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;benzyl 4-[2-ethoxycarbonyl-4-(oxan-4-yl)butanoyl]piperidine-1-carboxylate;(6-chloro-1H-benzimidazol-2-yl)hydrazine (PubChem CID 167634995) has the molecular formula C62H76Cl2N10O10 and a molecular weight of 1192.26 g/mol. Its IUPAC name is benzyl 4-[2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;benzyl 4-[2-ethoxycarbonyl-4-(oxan-4-yl)butanoyl]piperidine-1-carboxylate;(6-chloro-1H-benzimidazol-2-yl)hydrazine.

Molecular Properties

• Compound Name: benzyl 4-[2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;benzyl 4-[2-ethoxycarbonyl-4-(oxan-4-yl)butanoyl]piperidine-1-carboxylate;(6-chloro-1H-benzimidazol-2-yl)hydrazine
• PubChem CID: 167634995
• Molecular Formula: C62H76Cl2N10O10
• Molecular Weight: 1192.26 g/mol
• Exact Mass: 1190.51
• IUPAC Name: benzyl 4-[2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;benzyl 4-[2-ethoxycarbonyl-4-(oxan-4-yl)butanoyl]piperidine-1-carboxylate;(6-chloro-1H-benzimidazol-2-yl)hydrazine
• SMILES: CCOC(=O)C(CCC1CCOCC1)C(=O)C1CCN(C(=O)OCc2ccccc2)CC1.NNc1nc2ccc(Cl)cc2[nH]1.O=C(OCc1ccccc1)N1CCC(c2[nH]n(-c3nc4ccc(Cl)cc4[nH]3)c(=O)c2CCC2CCOCC2)CC1
• InChI: InChI=1S/C30H34ClN5O4.C25H35NO6.C7H7ClN4/c31-23-7-9-25-26(18-23)33-29(32-25)36-28(37)24(8-6-20-12-16-39-17-13-20)27(34-36)22-10-14-35(15-11-22)30(38)40-19-21-4-2-1-3-5-21;1-2-31-24(28)22(9-8-19-12-16-30-17-13-19)23(27)21-10-14-26(15-11-21)25(29)32-18-20-6-4-3-5-7-20;8-4-1-2-5-6(3-4)11-7(10-5)12-9/h1-5,7,9,18,20,22,34H,6,8,10-17,19H2,(H,32,33);3-7,19,21-22H,2,8-18H2,1H3;1-3H,9H2,(H2,10,11,12)
• InChIKey: OHUNQRWNVGSKGS-UHFFFAOYSA-N
• XLogP: 11.06
• TPSA: 254.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1192.26
LogP ≤ 5	11.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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 benzyl 4-[2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;benzyl 4-[2-ethoxycarbonyl-4-(oxan-4-yl)butanoyl]piperidine-1-carboxylate;(6-chloro-1H-benzimidazol-2-yl)hydrazine?

The IUPAC name of benzyl 4-[2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;benzyl 4-[2-ethoxycarbonyl-4-(oxan-4-yl)butanoyl]piperidine-1-carboxylate;(6-chloro-1H-benzimidazol-2-yl)hydrazine (CID 167634995) is benzyl 4-[2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;benzyl 4-[2-ethoxycarbonyl-4-(oxan-4-yl)butanoyl]piperidine-1-carboxylate;(6-chloro-1H-benzimidazol-2-yl)hydrazine.

What is the SMILES notation for benzyl 4-[2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;benzyl 4-[2-ethoxycarbonyl-4-(oxan-4-yl)butanoyl]piperidine-1-carboxylate;(6-chloro-1H-benzimidazol-2-yl)hydrazine?

The canonical SMILES for benzyl 4-[2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;benzyl 4-[2-ethoxycarbonyl-4-(oxan-4-yl)butanoyl]piperidine-1-carboxylate;(6-chloro-1H-benzimidazol-2-yl)hydrazine is CCOC(=O)C(CCC1CCOCC1)C(=O)C1CCN(C(=O)OCc2ccccc2)CC1.NNc1nc2ccc(Cl)cc2[nH]1.O=C(OCc1ccccc1)N1CCC(c2[nH]n(-c3nc4ccc(Cl)cc4[nH]3)c(=O)c2CCC2CCOCC2)CC1.

What is the InChIKey of benzyl 4-[2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;benzyl 4-[2-ethoxycarbonyl-4-(oxan-4-yl)butanoyl]piperidine-1-carboxylate;(6-chloro-1H-benzimidazol-2-yl)hydrazine?

The InChIKey is OHUNQRWNVGSKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN5O4.C25H35NO6.C7H7ClN4/c31-23-7-9-25-26(18-23)33-29(32-25)36-28(37)24(8-6-20-12-16-39-17-13-20)27(34-36)22-10-14-35(15-11-22)30(38)40-19-21-4-2-1-3-5-21;1-2-31-24(28)22(9-8-19-12-16-30-17-13-19)23(27)21-10-14-26(15-11-21)25(29)32-18-20-6-4-3-5-7-20;8-4-1-2-5-6(3-4)11-7(10-5)12-9/h1-5,7,9,18,20,22,34H,6,8,10-17,19H2,(H,32,33);3-7,19,21-22H,2,8-18H2,1H3;1-3H,9H2,(H2,10,11,12).

What are the key properties of benzyl 4-[2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;benzyl 4-[2-ethoxycarbonyl-4-(oxan-4-yl)butanoyl]piperidine-1-carboxylate;(6-chloro-1H-benzimidazol-2-yl)hydrazine?

benzyl 4-[2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;benzyl 4-[2-ethoxycarbonyl-4-(oxan-4-yl)butanoyl]piperidine-1-carboxylate;(6-chloro-1H-benzimidazol-2-yl)hydrazine has a molecular weight of 1192.26 g/mol, XLogP of 11.06, 17 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 4-[2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(oxan-4-yl)ethyl]-3-oxo-1H-pyrazol-5-yl]piperidine-1-carboxylate;benzyl 4-[2-ethoxycarbonyl-4-(oxan-4-yl)butanoyl]piperidine-1-carboxylate;(6-chloro-1H-benzimidazol-2-yl)hydrazine is sourced from PubChem (CID 167634995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).