2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide

C24H30N4O2 — CID 46603243

IUPAC2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
SMILESCCCn1c(=O)n(CC(=O)NCC(c2ccccc2)N2CCCC2)c2ccccc21
InChIInChI=1S/C24H30N4O2/c1-2-14-27-20-12-6-7-13-21(20)28(24(27)30)18-23(29)25-17-22(26-15-8-9-16-26)19-10-4-3-5-11-19/h3-7,10-13,22H,2,8-9,14-18H2,1H3,(H,25,29)
InChIKeyRIWHAMAJNXGQKR-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.17
Rot. Bonds8

About 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide

2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 46603243) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID46603243
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
SMILESCCCn1c(=O)n(CC(=O)NCC(c2ccccc2)N2CCCC2)c2ccccc21
InChIInChI=1S/C24H30N4O2/c1-2-14-27-20-12-6-7-13-21(20)28(24(27)30)18-23(29)25-17-22(26-15-8-9-16-26)19-10-4-3-5-11-19/h3-7,10-13,22H,2,8-9,14-18H2,1H3,(H,25,29)
InChIKeyRIWHAMAJNXGQKR-UHFFFAOYSA-N
XLogP3.17
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 24666131
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 41411599
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-(propan-2-ylamino)acetamide
CID 61249970
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 46522071
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 55462678
N-[2-(azepan-1-yl)-2-phenylethyl]-2-morpholin-4-ylacetamide
CID 118792707
3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide
CID 8798720
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]acetamide
CID 99932037
2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 94454428
1-(2-cyclopentyl-2-oxoethyl)-3-propylbenzimidazol-2-one
CID 104751301
(2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride
CID 119831434
N-[2-(azepan-1-yl)-2-phenylethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide;formic acid
CID 154907167

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide (CID 46603243) is 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide is CCCn1c(=O)n(CC(=O)NCC(c2ccccc2)N2CCCC2)c2ccccc21.
What is the InChIKey of 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is RIWHAMAJNXGQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-2-14-27-20-12-6-7-13-21(20)28(24(27)30)18-23(29)25-17-22(26-15-8-9-16-26)19-10-4-3-5-11-19/h3-7,10-13,22H,2,8-9,14-18H2,1H3,(H,25,29).
What are the key properties of 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 406.53 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 46603243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).