2-[(2R)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]-1H-benzimidazole

C21H26N6 — CID 95197903

IUPAC2-[(2R)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]-1H-benzimidazole
SMILESCc1nc(C2CCNCC2)cc(N2CCC[C@@H]2c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C21H26N6/c1-14-23-18(15-8-10-22-11-9-15)13-20(24-14)27-12-4-7-19(27)21-25-16-5-2-3-6-17(16)26-21/h2-3,5-6,13,15,19,22H,4,7-12H2,1H3,(H,25,26)/t19-/m1/s1
InChIKeyKEYPYIIPUXSAQQ-LJQANCHMSA-N
MW362.48 g/mol
LogP3.47
Rot. Bonds3

About 2-[(2R)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]-1H-benzimidazole

2-[(2R)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]-1H-benzimidazole (PubChem CID 95197903) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-[(2R)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2R)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]-1H-benzimidazole
PubChem CID95197903
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name2-[(2R)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]-1H-benzimidazole
SMILESCc1nc(C2CCNCC2)cc(N2CCC[C@@H]2c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C21H26N6/c1-14-23-18(15-8-10-22-11-9-15)13-20(24-14)27-12-4-7-19(27)21-25-16-5-2-3-6-17(16)26-21/h2-3,5-6,13,15,19,22H,4,7-12H2,1H3,(H,25,26)/t19-/m1/s1
InChIKeyKEYPYIIPUXSAQQ-LJQANCHMSA-N
XLogP3.47
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-1H-benzimidazole
CID 97223890
6-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 75515216
[2-methyl-6-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]methanamine
CID 56714765
3-[6-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-amine
CID 91760537
2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209487
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
2-[(2S)-1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-yl]-1H-benzimidazole
CID 97223892
2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1H-benzimidazole
CID 97223902
2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1H-benzimidazole
CID 166910996
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 52532452
2-[1-(3-methyl-5-nitroimidazol-4-yl)pyrrolidin-2-yl]-1H-benzimidazole
CID 71853949
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[(2R)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]-1H-benzimidazole (CID 95197903) is 2-[(2R)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2R)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[(2R)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]-1H-benzimidazole is Cc1nc(C2CCNCC2)cc(N2CCC[C@@H]2c2nc3ccccc3[nH]2)n1.
What is the InChIKey of 2-[(2R)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]-1H-benzimidazole?
The InChIKey is KEYPYIIPUXSAQQ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N6/c1-14-23-18(15-8-10-22-11-9-15)13-20(24-14)27-12-4-7-19(27)21-25-16-5-2-3-6-17(16)26-21/h2-3,5-6,13,15,19,22H,4,7-12H2,1H3,(H,25,26)/t19-/m1/s1.
What are the key properties of 2-[(2R)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]-1H-benzimidazole?
2-[(2R)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]-1H-benzimidazole has a molecular weight of 362.48 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 95197903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).