N-(2,5-dimethylpyrazol-3-yl)-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide

C18H26N6O — CID 129477439

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)n(C)n1
InChIInChI=1S/C18H26N6O/c1-12-10-16(23(2)22-12)21-17(25)11-24-9-5-8-15(24)18-19-13-6-3-4-7-14(13)20-18/h10,15H,3-9,11H2,1-2H3,(H,19,20)(H,21,25)/t15-/m1/s1
InChIKeyPEBUQCZWBXBESZ-OAHLLOKOSA-N
MW342.45 g/mol
LogP2.11
Rot. Bonds4

About N-(2,5-dimethylpyrazol-3-yl)-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide (PubChem CID 129477439) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
PubChem CID129477439
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)n(C)n1
InChIInChI=1S/C18H26N6O/c1-12-10-16(23(2)22-12)21-17(25)11-24-9-5-8-15(24)18-19-13-6-3-4-7-14(13)20-18/h10,15H,3-9,11H2,1-2H3,(H,19,20)(H,21,25)/t15-/m1/s1
InChIKeyPEBUQCZWBXBESZ-OAHLLOKOSA-N
XLogP2.11
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 51287128
N-(oxan-4-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
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N-methyl-3-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzamide
CID 128973937
2-(4-aminopiperidin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 79332492
2-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129473203
N-methyl-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide
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1-[2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one;hydroiodide
CID 154764432
1-(2,3-dihydroindol-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 128983493
1-morpholin-4-yl-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 129336669
N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
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N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide (CID 129477439) is N-(2,5-dimethylpyrazol-3-yl)-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide is Cc1cc(NC(=O)CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is PEBUQCZWBXBESZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N6O/c1-12-10-16(23(2)22-12)21-17(25)11-24-9-5-8-15(24)18-19-13-6-3-4-7-14(13)20-18/h10,15H,3-9,11H2,1-2H3,(H,19,20)(H,21,25)/t15-/m1/s1.
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 342.45 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 129477439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).