3-methyl-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-2-phenylbutanamide

C22H26N4O2 — CID 131947738

IUPAC3-methyl-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-2-phenylbutanamide
SMILESCC(C)C(C(=O)Nc1cc2[nH]c(=O)[nH]c2cc1N1CCCC1)c1ccccc1
InChIInChI=1S/C22H26N4O2/c1-14(2)20(15-8-4-3-5-9-15)21(27)23-18-12-16-17(25-22(28)24-16)13-19(18)26-10-6-7-11-26/h3-5,8-9,12-14,20H,6-7,10-11H2,1-2H3,(H,23,27)(H2,24,25,28)
InChIKeyDTERHNHWSKHILU-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.83
Rot. Bonds5

About 3-methyl-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-2-phenylbutanamide

3-methyl-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-2-phenylbutanamide (PubChem CID 131947738) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-methyl-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-2-phenylbutanamide.

Molecular Properties

Compound Name3-methyl-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-2-phenylbutanamide
PubChem CID131947738
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-methyl-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-2-phenylbutanamide
SMILESCC(C)C(C(=O)Nc1cc2[nH]c(=O)[nH]c2cc1N1CCCC1)c1ccccc1
InChIInChI=1S/C22H26N4O2/c1-14(2)20(15-8-4-3-5-9-15)21(27)23-18-12-16-17(25-22(28)24-16)13-19(18)26-10-6-7-11-26/h3-5,8-9,12-14,20H,6-7,10-11H2,1-2H3,(H,23,27)(H2,24,25,28)
InChIKeyDTERHNHWSKHILU-UHFFFAOYSA-N
XLogP3.83
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-2-phenylbutanamide?
The IUPAC name of 3-methyl-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-2-phenylbutanamide (CID 131947738) is 3-methyl-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-2-phenylbutanamide.
What is the SMILES notation for 3-methyl-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-2-phenylbutanamide?
The canonical SMILES for 3-methyl-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-2-phenylbutanamide is CC(C)C(C(=O)Nc1cc2[nH]c(=O)[nH]c2cc1N1CCCC1)c1ccccc1.
What is the InChIKey of 3-methyl-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-2-phenylbutanamide?
The InChIKey is DTERHNHWSKHILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14(2)20(15-8-4-3-5-9-15)21(27)23-18-12-16-17(25-22(28)24-16)13-19(18)26-10-6-7-11-26/h3-5,8-9,12-14,20H,6-7,10-11H2,1-2H3,(H,23,27)(H2,24,25,28).
What are the key properties of 3-methyl-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-2-phenylbutanamide?
3-methyl-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-2-phenylbutanamide has a molecular weight of 378.48 g/mol, XLogP of 3.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-2-phenylbutanamide is sourced from PubChem (CID 131947738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).