N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]benzamide

C50H62N8O2 — CID 68762556

IUPACN-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]benzamide
SMILESCc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CCN(C3CCCCC3)C2)cc1.Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CCN(CC(C)C)C2)cc1
InChIInChI=1S/C26H32N4O.C24H30N4O/c1-19-27-24-10-6-7-11-25(24)30(19)22-14-12-20(13-15-22)26(31)28(2)23-16-17-29(18-23)21-8-4-3-5-9-21;1-17(2)15-27-14-13-21(16-27)26(4)24(29)19-9-11-20(12-10-19)28-18(3)25-22-7-5-6-8-23(22)28/h6-7,10-15,21,23H,3-5,8-9,16-18H2,1-2H3;5-12,17,21H,13-16H2,1-4H3/t23-;21-/m11/s1
InChIKeyYUJJKHODOBSJSH-PEGWUGDUSA-N
MW807.10 g/mol
LogP8.95
Rot. Bonds9

About N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]benzamide

N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]benzamide (PubChem CID 68762556) has the molecular formula C50H62N8O2 and a molecular weight of 807.10 g/mol. Its IUPAC name is N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]benzamide
PubChem CID68762556
Molecular FormulaC50H62N8O2
Molecular Weight807.10 g/mol
Exact Mass806.50
IUPAC NameN-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]benzamide
SMILESCc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CCN(C3CCCCC3)C2)cc1.Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CCN(CC(C)C)C2)cc1
InChIInChI=1S/C26H32N4O.C24H30N4O/c1-19-27-24-10-6-7-11-25(24)30(19)22-14-12-20(13-15-22)26(31)28(2)23-16-17-29(18-23)21-8-4-3-5-9-21;1-17(2)15-27-14-13-21(16-27)26(4)24(29)19-9-11-20(12-10-19)28-18(3)25-22-7-5-6-8-23(22)28/h6-7,10-15,21,23H,3-5,8-9,16-18H2,1-2H3;5-12,17,21H,13-16H2,1-4H3/t23-;21-/m11/s1
InChIKeyYUJJKHODOBSJSH-PEGWUGDUSA-N
XLogP8.95
TPSA82.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.10
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]benzamide (CID 68762556) is N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]benzamide is Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CCN(C3CCCCC3)C2)cc1.Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CCN(CC(C)C)C2)cc1.
What is the InChIKey of N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]benzamide?
The InChIKey is YUJJKHODOBSJSH-PEGWUGDUSA-N. The full InChI is InChI=1S/C26H32N4O.C24H30N4O/c1-19-27-24-10-6-7-11-25(24)30(19)22-14-12-20(13-15-22)26(31)28(2)23-16-17-29(18-23)21-8-4-3-5-9-21;1-17(2)15-27-14-13-21(16-27)26(4)24(29)19-9-11-20(12-10-19)28-18(3)25-22-7-5-6-8-23(22)28/h6-7,10-15,21,23H,3-5,8-9,16-18H2,1-2H3;5-12,17,21H,13-16H2,1-4H3/t23-;21-/m11/s1.
What are the key properties of N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]benzamide?
N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]benzamide has a molecular weight of 807.10 g/mol, XLogP of 8.95, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 68762556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).