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

C19H24N6O2 — CID 46981076

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)CN3CCCC3Cn3cccn3)ccc21
InChIInChI=1S/C19H24N6O2/c1-22-16-7-6-14(11-17(16)23(2)19(22)27)21-18(26)13-24-9-3-5-15(24)12-25-10-4-8-20-25/h4,6-8,10-11,15H,3,5,9,12-13H2,1-2H3,(H,21,26)
InChIKeyKOYDWJXQOPVDHB-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.18
Rot. Bonds5

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

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide (PubChem CID 46981076) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
PubChem CID46981076
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)CN3CCCC3Cn3cccn3)ccc21
InChIInChI=1S/C19H24N6O2/c1-22-16-7-6-14(11-17(16)23(2)19(22)27)21-18(26)13-24-9-3-5-15(24)12-25-10-4-8-20-25/h4,6-8,10-11,15H,3,5,9,12-13H2,1-2H3,(H,21,26)
InChIKeyKOYDWJXQOPVDHB-UHFFFAOYSA-N
XLogP1.18
TPSA77.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 46981073
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-(5-methyl-1,2-oxazol-3-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95609321
N,N,4-trimethyl-2-[[2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide
CID 92612705
2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 95609320
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 92613187
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
CID 49281031
N,N-diethyl-3-[[2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 146125332
2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95609233
N-(4-ethyl-3-methoxyphenyl)-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 58222560
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95310269

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide (CID 46981076) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide is Cn1c(=O)n(C)c2cc(NC(=O)CN3CCCC3Cn3cccn3)ccc21.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is KOYDWJXQOPVDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-22-16-7-6-14(11-17(16)23(2)19(22)27)21-18(26)13-24-9-3-5-15(24)12-25-10-4-8-20-25/h4,6-8,10-11,15H,3,5,9,12-13H2,1-2H3,(H,21,26).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 368.44 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 46981076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).