2-[(2S)-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-1H-benzimidazole

C18H21N5O — CID 97223890

IUPAC2-[(2S)-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-1H-benzimidazole
SMILESCOCc1nc(C)cc(N2CCC[C@H]2c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C18H21N5O/c1-12-10-17(22-16(19-12)11-24-2)23-9-5-8-15(23)18-20-13-6-3-4-7-14(13)21-18/h3-4,6-7,10,15H,5,8-9,11H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyWEPZPOYLOZVAHW-HNNXBMFYSA-N
MW323.40 g/mol
LogP3.15
Rot. Bonds4

About 2-[(2S)-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-1H-benzimidazole

2-[(2S)-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-1H-benzimidazole (PubChem CID 97223890) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[(2S)-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2S)-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-1H-benzimidazole
PubChem CID97223890
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-[(2S)-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-1H-benzimidazole
SMILESCOCc1nc(C)cc(N2CCC[C@H]2c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C18H21N5O/c1-12-10-17(22-16(19-12)11-24-2)23-9-5-8-15(23)18-20-13-6-3-4-7-14(13)21-18/h3-4,6-7,10,15H,5,8-9,11H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyWEPZPOYLOZVAHW-HNNXBMFYSA-N
XLogP3.15
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methoxymethyl)-4-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-6-methylpyrimidine
CID 119032937
2-[(2R)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]-1H-benzimidazole
CID 95197903
2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1H-benzimidazole
CID 97223902
6-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 75515216
2-(methoxymethyl)-4-methyl-6-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]pyrimidine
CID 97055608
[2-methyl-6-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]methanamine
CID 56714765
2-(methoxymethyl)-4-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]pyrimidine
CID 136569088
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-(ethoxymethyl)-4-[2-(furan-2-yl)piperidin-1-yl]-6-methylpyrimidine
CID 138053095
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 25389944
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone
CID 40920690

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[(2S)-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-1H-benzimidazole (CID 97223890) is 2-[(2S)-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2S)-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[(2S)-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-1H-benzimidazole is COCc1nc(C)cc(N2CCC[C@H]2c2nc3ccccc3[nH]2)n1.
What is the InChIKey of 2-[(2S)-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-1H-benzimidazole?
The InChIKey is WEPZPOYLOZVAHW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-10-17(22-16(19-12)11-24-2)23-9-5-8-15(23)18-20-13-6-3-4-7-14(13)21-18/h3-4,6-7,10,15H,5,8-9,11H2,1-2H3,(H,20,21)/t15-/m0/s1.
What are the key properties of 2-[(2S)-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-1H-benzimidazole?
2-[(2S)-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-1H-benzimidazole has a molecular weight of 323.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 97223890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).