N-ethyl-3-[[3-[4-[[5-(ethylcarbamoyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-diphenylmethyl]phenyl]phenyl]-diphenylmethyl]-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide

C58H56N6O2 — CID 143921130

IUPACN-ethyl-3-[[3-[4-[[5-(ethylcarbamoyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-diphenylmethyl]phenyl]phenyl]-diphenylmethyl]-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide
SMILESCCNC(=O)C1CCc2c(ncn2C(c2ccccc2)(c2ccccc2)c2ccc(-c3cccc(C(c4ccccc4)(c4ccccc4)n4cnc5c4CC(C(=O)NCC)CC5)c3)cc2)C1
InChIInChI=1S/C58H56N6O2/c1-3-59-55(65)43-31-35-53-52(37-43)62-40-63(53)57(45-19-9-5-10-20-45,46-21-11-6-12-22-46)49-32-28-41(29-33-49)42-18-17-27-50(36-42)58(47-23-13-7-14-24-47,48-25-15-8-16-26-48)64-39-61-51-34-30-44(38-54(51)64)56(66)60-4-2/h5-29,32-33,36,39-40,43-44H,3-4,30-31,34-35,37-38H2,1-2H3,(H,59,65)(H,60,66)
InChIKeyDRGUNKBWMYALSQ-UHFFFAOYSA-N
MW869.13 g/mol
LogP9.91
Rot. Bonds13

About N-ethyl-3-[[3-[4-[[5-(ethylcarbamoyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-diphenylmethyl]phenyl]phenyl]-diphenylmethyl]-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide

N-ethyl-3-[[3-[4-[[5-(ethylcarbamoyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-diphenylmethyl]phenyl]phenyl]-diphenylmethyl]-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide (PubChem CID 143921130) has the molecular formula C58H56N6O2 and a molecular weight of 869.13 g/mol. Its IUPAC name is N-ethyl-3-[[3-[4-[[5-(ethylcarbamoyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-diphenylmethyl]phenyl]phenyl]-diphenylmethyl]-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[[3-[4-[[5-(ethylcarbamoyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-diphenylmethyl]phenyl]phenyl]-diphenylmethyl]-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide
PubChem CID143921130
Molecular FormulaC58H56N6O2
Molecular Weight869.13 g/mol
Exact Mass868.45
IUPAC NameN-ethyl-3-[[3-[4-[[5-(ethylcarbamoyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-diphenylmethyl]phenyl]phenyl]-diphenylmethyl]-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide
SMILESCCNC(=O)C1CCc2c(ncn2C(c2ccccc2)(c2ccccc2)c2ccc(-c3cccc(C(c4ccccc4)(c4ccccc4)n4cnc5c4CC(C(=O)NCC)CC5)c3)cc2)C1
InChIInChI=1S/C58H56N6O2/c1-3-59-55(65)43-31-35-53-52(37-43)62-40-63(53)57(45-19-9-5-10-20-45,46-21-11-6-12-22-46)49-32-28-41(29-33-49)42-18-17-27-50(36-42)58(47-23-13-7-14-24-47,48-25-15-8-16-26-48)64-39-61-51-34-30-44(38-54(51)64)56(66)60-4-2/h5-29,32-33,36,39-40,43-44H,3-4,30-31,34-35,37-38H2,1-2H3,(H,59,65)(H,60,66)
InChIKeyDRGUNKBWMYALSQ-UHFFFAOYSA-N
XLogP9.91
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.13
LogP ≤ 59.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze N-ethyl-3-[[3-[4-[[5-(ethylcarbamoyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-diphenylmethyl]phenyl]phenyl]-diphenylmethyl]-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[3-[4-[[5-(ethylcarbamoyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-diphenylmethyl]phenyl]phenyl]-diphenylmethyl]-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide?
The IUPAC name of N-ethyl-3-[[3-[4-[[5-(ethylcarbamoyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-diphenylmethyl]phenyl]phenyl]-diphenylmethyl]-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide (CID 143921130) is N-ethyl-3-[[3-[4-[[5-(ethylcarbamoyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-diphenylmethyl]phenyl]phenyl]-diphenylmethyl]-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide.
What is the SMILES notation for N-ethyl-3-[[3-[4-[[5-(ethylcarbamoyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-diphenylmethyl]phenyl]phenyl]-diphenylmethyl]-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide?
The canonical SMILES for N-ethyl-3-[[3-[4-[[5-(ethylcarbamoyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-diphenylmethyl]phenyl]phenyl]-diphenylmethyl]-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide is CCNC(=O)C1CCc2c(ncn2C(c2ccccc2)(c2ccccc2)c2ccc(-c3cccc(C(c4ccccc4)(c4ccccc4)n4cnc5c4CC(C(=O)NCC)CC5)c3)cc2)C1.
What is the InChIKey of N-ethyl-3-[[3-[4-[[5-(ethylcarbamoyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-diphenylmethyl]phenyl]phenyl]-diphenylmethyl]-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide?
The InChIKey is DRGUNKBWMYALSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H56N6O2/c1-3-59-55(65)43-31-35-53-52(37-43)62-40-63(53)57(45-19-9-5-10-20-45,46-21-11-6-12-22-46)49-32-28-41(29-33-49)42-18-17-27-50(36-42)58(47-23-13-7-14-24-47,48-25-15-8-16-26-48)64-39-61-51-34-30-44(38-54(51)64)56(66)60-4-2/h5-29,32-33,36,39-40,43-44H,3-4,30-31,34-35,37-38H2,1-2H3,(H,59,65)(H,60,66).
What are the key properties of N-ethyl-3-[[3-[4-[[5-(ethylcarbamoyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-diphenylmethyl]phenyl]phenyl]-diphenylmethyl]-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide?
N-ethyl-3-[[3-[4-[[5-(ethylcarbamoyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-diphenylmethyl]phenyl]phenyl]-diphenylmethyl]-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide has a molecular weight of 869.13 g/mol, XLogP of 9.91, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[3-[4-[[5-(ethylcarbamoyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-diphenylmethyl]phenyl]phenyl]-diphenylmethyl]-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 143921130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).