N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-N-methylbenzamide

C26H32N4O — CID 25119560

IUPACN-[(3R)-1-cyclobutylpyrrolidin-3-yl]-4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-N-methylbenzamide
SMILESCc1ccc2c(c1)nc(C)n2Cc1ccc(C(=O)N(C)[C@@H]2CCN(C3CCC3)C2)cc1
InChIInChI=1S/C26H32N4O/c1-18-7-12-25-24(15-18)27-19(2)30(25)16-20-8-10-21(11-9-20)26(31)28(3)23-13-14-29(17-23)22-5-4-6-22/h7-12,15,22-23H,4-6,13-14,16-17H2,1-3H3/t23-/m1/s1
InChIKeyDAFBGKIEJDKJLZ-HSZRJFAPSA-N
MW416.57 g/mol
LogP4.40
Rot. Bonds5

About N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-N-methylbenzamide

N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-N-methylbenzamide (PubChem CID 25119560) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3R)-1-cyclobutylpyrrolidin-3-yl]-4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-N-methylbenzamide
PubChem CID25119560
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC NameN-[(3R)-1-cyclobutylpyrrolidin-3-yl]-4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-N-methylbenzamide
SMILESCc1ccc2c(c1)nc(C)n2Cc1ccc(C(=O)N(C)[C@@H]2CCN(C3CCC3)C2)cc1
InChIInChI=1S/C26H32N4O/c1-18-7-12-25-24(15-18)27-19(2)30(25)16-20-8-10-21(11-9-20)26(31)28(3)23-13-14-29(17-23)22-5-4-6-22/h7-12,15,22-23H,4-6,13-14,16-17H2,1-3H3/t23-/m1/s1
InChIKeyDAFBGKIEJDKJLZ-HSZRJFAPSA-N
XLogP4.40
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-N-methylbenzamide?
The IUPAC name of N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-N-methylbenzamide (CID 25119560) is N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-N-methylbenzamide?
The canonical SMILES for N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-N-methylbenzamide is Cc1ccc2c(c1)nc(C)n2Cc1ccc(C(=O)N(C)[C@@H]2CCN(C3CCC3)C2)cc1.
What is the InChIKey of N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-N-methylbenzamide?
The InChIKey is DAFBGKIEJDKJLZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H32N4O/c1-18-7-12-25-24(15-18)27-19(2)30(25)16-20-8-10-21(11-9-20)26(31)28(3)23-13-14-29(17-23)22-5-4-6-22/h7-12,15,22-23H,4-6,13-14,16-17H2,1-3H3/t23-/m1/s1.
What are the key properties of N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-N-methylbenzamide?
N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-N-methylbenzamide has a molecular weight of 416.57 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 25119560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).