2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1H-benzimidazole

C16H17N5O — CID 97223902

IUPAC2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1H-benzimidazole
SMILESCOc1ccnc(N2CCC[C@H]2c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C16H17N5O/c1-22-14-8-9-17-16(20-14)21-10-4-7-13(21)15-18-11-5-2-3-6-12(11)19-15/h2-3,5-6,8-9,13H,4,7,10H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyZOMOMPJDOPQBRE-ZDUSSCGKSA-N
MW295.35 g/mol
LogP2.70
Rot. Bonds3

About 2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1H-benzimidazole

2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1H-benzimidazole (PubChem CID 97223902) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1H-benzimidazole
PubChem CID97223902
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1H-benzimidazole
SMILESCOc1ccnc(N2CCC[C@H]2c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C16H17N5O/c1-22-14-8-9-17-16(20-14)21-10-4-7-13(21)15-18-11-5-2-3-6-12(11)19-15/h2-3,5-6,8-9,13H,4,7,10H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyZOMOMPJDOPQBRE-ZDUSSCGKSA-N
XLogP2.70
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 97223890
[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 62593689
2-[(2R)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 129476738
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
2-[1-(3-methyl-5-nitroimidazol-4-yl)pyrrolidin-2-yl]-1H-benzimidazole
CID 71853949
2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol
CID 97075977
(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 93274420
3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 55243745
4-methoxy-2-[2-(3-methylbutyl)pyrrolidin-1-yl]pyrimidine
CID 133376942
N-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62591275
6-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 75515216

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1H-benzimidazole (CID 97223902) is 2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1H-benzimidazole is COc1ccnc(N2CCC[C@H]2c2nc3ccccc3[nH]2)n1.
What is the InChIKey of 2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1H-benzimidazole?
The InChIKey is ZOMOMPJDOPQBRE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17N5O/c1-22-14-8-9-17-16(20-14)21-10-4-7-13(21)15-18-11-5-2-3-6-12(11)19-15/h2-3,5-6,8-9,13H,4,7,10H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of 2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1H-benzimidazole?
2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1H-benzimidazole has a molecular weight of 295.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 97223902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).