N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide

C17H20N6O2 — CID 46981073

IUPACN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCCC1Cn1cccn1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H20N6O2/c24-16(19-12-4-5-14-15(9-12)21-17(25)20-14)11-22-7-1-3-13(22)10-23-8-2-6-18-23/h2,4-6,8-9,13H,1,3,7,10-11H2,(H,19,24)(H2,20,21,25)
InChIKeyOVDSHYBITILYPM-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.16
Rot. Bonds5

About N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide (PubChem CID 46981073) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
PubChem CID46981073
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCCC1Cn1cccn1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H20N6O2/c24-16(19-12-4-5-14-15(9-12)21-17(25)20-14)11-22-7-1-3-13(22)10-23-8-2-6-18-23/h2,4-6,8-9,13H,1,3,7,10-11H2,(H,19,24)(H2,20,21,25)
InChIKeyOVDSHYBITILYPM-UHFFFAOYSA-N
XLogP1.16
TPSA98.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 46981076
2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)acetamide
CID 92612941
N-(5-chloro-2-pyridinyl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 56780407
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[(2R)-2-pyridin-2-ylpiperidin-1-yl]propanamide
CID 124750084
2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 9450327
4-[2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 92612938
4-[2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 46980921
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 92613187
2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 95609320
2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 16618248
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95609321
2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95609233

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide (CID 46981073) is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide is O=C(CN1CCCC1Cn1cccn1)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is OVDSHYBITILYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c24-16(19-12-4-5-14-15(9-12)21-17(25)20-14)11-22-7-1-3-13(22)10-23-8-2-6-18-23/h2,4-6,8-9,13H,1,3,7,10-11H2,(H,19,24)(H2,20,21,25).
What are the key properties of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 340.39 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 46981073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).