N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-ethyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-ethyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide

C49H60N8O2 — CID 68796651

IUPACN-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-ethyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-ethyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
SMILESCCN(C(=O)c1ccc(-n2c(C)nc3ccccc32)cc1)[C@@H]1CCN(C(C)C)C1.CCN(C(=O)c1ccc(-n2c(C)nc3ccccc32)cc1)[C@@H]1CCN(C2CCC2)C1
InChIInChI=1S/C25H30N4O.C24H30N4O/c1-3-28(22-15-16-27(17-22)20-7-6-8-20)25(30)19-11-13-21(14-12-19)29-18(2)26-23-9-4-5-10-24(23)29;1-5-27(21-14-15-26(16-21)17(2)3)24(29)19-10-12-20(13-11-19)28-18(4)25-22-8-6-7-9-23(22)28/h4-5,9-14,20,22H,3,6-8,15-17H2,1-2H3;6-13,17,21H,5,14-16H2,1-4H3/t22-;21-/m11/s1
InChIKeyOZPNHNLCSPCYNA-FRQDGDBPSA-N
MW793.07 g/mol
LogP8.70
Rot. Bonds10

About N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-ethyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-ethyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide

N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-ethyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-ethyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide (PubChem CID 68796651) has the molecular formula C49H60N8O2 and a molecular weight of 793.07 g/mol. Its IUPAC name is N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-ethyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-ethyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-ethyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-ethyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
PubChem CID68796651
Molecular FormulaC49H60N8O2
Molecular Weight793.07 g/mol
Exact Mass792.48
IUPAC NameN-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-ethyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-ethyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
SMILESCCN(C(=O)c1ccc(-n2c(C)nc3ccccc32)cc1)[C@@H]1CCN(C(C)C)C1.CCN(C(=O)c1ccc(-n2c(C)nc3ccccc32)cc1)[C@@H]1CCN(C2CCC2)C1
InChIInChI=1S/C25H30N4O.C24H30N4O/c1-3-28(22-15-16-27(17-22)20-7-6-8-20)25(30)19-11-13-21(14-12-19)29-18(2)26-23-9-4-5-10-24(23)29;1-5-27(21-14-15-26(16-21)17(2)3)24(29)19-10-12-20(13-11-19)28-18(4)25-22-8-6-7-9-23(22)28/h4-5,9-14,20,22H,3,6-8,15-17H2,1-2H3;6-13,17,21H,5,14-16H2,1-4H3/t22-;21-/m11/s1
InChIKeyOZPNHNLCSPCYNA-FRQDGDBPSA-N
XLogP8.70
TPSA82.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.07
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-ethyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-ethyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-ethyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-ethyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
The IUPAC name of N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-ethyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-ethyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide (CID 68796651) is N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-ethyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-ethyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-ethyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-ethyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
The canonical SMILES for N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-ethyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-ethyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide is CCN(C(=O)c1ccc(-n2c(C)nc3ccccc32)cc1)[C@@H]1CCN(C(C)C)C1.CCN(C(=O)c1ccc(-n2c(C)nc3ccccc32)cc1)[C@@H]1CCN(C2CCC2)C1.
What is the InChIKey of N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-ethyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-ethyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
The InChIKey is OZPNHNLCSPCYNA-FRQDGDBPSA-N. The full InChI is InChI=1S/C25H30N4O.C24H30N4O/c1-3-28(22-15-16-27(17-22)20-7-6-8-20)25(30)19-11-13-21(14-12-19)29-18(2)26-23-9-4-5-10-24(23)29;1-5-27(21-14-15-26(16-21)17(2)3)24(29)19-10-12-20(13-11-19)28-18(4)25-22-8-6-7-9-23(22)28/h4-5,9-14,20,22H,3,6-8,15-17H2,1-2H3;6-13,17,21H,5,14-16H2,1-4H3/t22-;21-/m11/s1.
What are the key properties of N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-ethyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-ethyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-ethyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-ethyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide has a molecular weight of 793.07 g/mol, XLogP of 8.70, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-ethyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-ethyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 68796651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).