N-(1,2-dimethylbenzimidazol-5-yl)-2-[(2R)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]acetamide

C22H24N8O — CID 51587467

IUPACN-(1,2-dimethylbenzimidazol-5-yl)-2-[(2R)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]acetamide
SMILESCc1nc2cc(NC(=O)CN3CCC[C@@H]3c3nc(-c4cccnc4)n[nH]3)ccc2n1C
InChIInChI=1S/C22H24N8O/c1-14-24-17-11-16(7-8-18(17)29(14)2)25-20(31)13-30-10-4-6-19(30)22-26-21(27-28-22)15-5-3-9-23-12-15/h3,5,7-9,11-12,19H,4,6,10,13H2,1-2H3,(H,25,31)(H,26,27,28)/t19-/m1/s1
InChIKeyGJMPXUJCVSANIO-LJQANCHMSA-N
MW416.49 g/mol
LogP2.84
Rot. Bonds5

About N-(1,2-dimethylbenzimidazol-5-yl)-2-[(2R)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]acetamide

N-(1,2-dimethylbenzimidazol-5-yl)-2-[(2R)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]acetamide (PubChem CID 51587467) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is N-(1,2-dimethylbenzimidazol-5-yl)-2-[(2R)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,2-dimethylbenzimidazol-5-yl)-2-[(2R)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]acetamide
PubChem CID51587467
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC NameN-(1,2-dimethylbenzimidazol-5-yl)-2-[(2R)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]acetamide
SMILESCc1nc2cc(NC(=O)CN3CCC[C@@H]3c3nc(-c4cccnc4)n[nH]3)ccc2n1C
InChIInChI=1S/C22H24N8O/c1-14-24-17-11-16(7-8-18(17)29(14)2)25-20(31)13-30-10-4-6-19(30)22-26-21(27-28-22)15-5-3-9-23-12-15/h3,5,7-9,11-12,19H,4,6,10,13H2,1-2H3,(H,25,31)(H,26,27,28)/t19-/m1/s1
InChIKeyGJMPXUJCVSANIO-LJQANCHMSA-N
XLogP2.84
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)-2-[(2R)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)-2-[(2R)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]acetamide (CID 51587467) is N-(1,2-dimethylbenzimidazol-5-yl)-2-[(2R)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(1,2-dimethylbenzimidazol-5-yl)-2-[(2R)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(1,2-dimethylbenzimidazol-5-yl)-2-[(2R)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]acetamide is Cc1nc2cc(NC(=O)CN3CCC[C@@H]3c3nc(-c4cccnc4)n[nH]3)ccc2n1C.
What is the InChIKey of N-(1,2-dimethylbenzimidazol-5-yl)-2-[(2R)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is GJMPXUJCVSANIO-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24N8O/c1-14-24-17-11-16(7-8-18(17)29(14)2)25-20(31)13-30-10-4-6-19(30)22-26-21(27-28-22)15-5-3-9-23-12-15/h3,5,7-9,11-12,19H,4,6,10,13H2,1-2H3,(H,25,31)(H,26,27,28)/t19-/m1/s1.
What are the key properties of N-(1,2-dimethylbenzimidazol-5-yl)-2-[(2R)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]acetamide?
N-(1,2-dimethylbenzimidazol-5-yl)-2-[(2R)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 416.49 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylbenzimidazol-5-yl)-2-[(2R)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 51587467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).