N-(1H-benzimidazol-2-yl)-2-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl-methylamino]acetamide

C19H27N5O2 — CID 95229635

IUPACN-(1H-benzimidazol-2-yl)-2-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1nc2ccccc2[nH]1)C[C@@H]1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C19H27N5O2/c1-19(2,3)24-11-13(9-17(24)26)10-23(4)12-16(25)22-18-20-14-7-5-6-8-15(14)21-18/h5-8,13H,9-12H2,1-4H3,(H2,20,21,22,25)/t13-/m0/s1
InChIKeyUWCKPYFDRWRGBT-ZDUSSCGKSA-N
MW357.46 g/mol
LogP2.08
Rot. Bonds5

About N-(1H-benzimidazol-2-yl)-2-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl-methylamino]acetamide

N-(1H-benzimidazol-2-yl)-2-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl-methylamino]acetamide (PubChem CID 95229635) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl-methylamino]acetamide
PubChem CID95229635
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-(1H-benzimidazol-2-yl)-2-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1nc2ccccc2[nH]1)C[C@@H]1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C19H27N5O2/c1-19(2,3)24-11-13(9-17(24)26)10-23(4)12-16(25)22-18-20-14-7-5-6-8-15(14)21-18/h5-8,13H,9-12H2,1-4H3,(H2,20,21,22,25)/t13-/m0/s1
InChIKeyUWCKPYFDRWRGBT-ZDUSSCGKSA-N
XLogP2.08
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl-methylamino]acetamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl-methylamino]acetamide (CID 95229635) is N-(1H-benzimidazol-2-yl)-2-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl-methylamino]acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl-methylamino]acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl-methylamino]acetamide is CN(CC(=O)Nc1nc2ccccc2[nH]1)C[C@@H]1CC(=O)N(C(C)(C)C)C1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl-methylamino]acetamide?
The InChIKey is UWCKPYFDRWRGBT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-19(2,3)24-11-13(9-17(24)26)10-23(4)12-16(25)22-18-20-14-7-5-6-8-15(14)21-18/h5-8,13H,9-12H2,1-4H3,(H2,20,21,22,25)/t13-/m0/s1.
What are the key properties of N-(1H-benzimidazol-2-yl)-2-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl-methylamino]acetamide?
N-(1H-benzimidazol-2-yl)-2-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl-methylamino]acetamide has a molecular weight of 357.46 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 95229635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).