1-methyl-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]benzimidazole

C18H20N4 — CID 95723533

IUPAC1-methyl-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]benzimidazole
SMILESCn1c([C@@H]2CCCN2Cc2ccccn2)nc2ccccc21
InChIInChI=1S/C18H20N4/c1-21-16-9-3-2-8-15(16)20-18(21)17-10-6-12-22(17)13-14-7-4-5-11-19-14/h2-5,7-9,11,17H,6,10,12-13H2,1H3/t17-/m0/s1
InChIKeyIQVGDRQWASWPMJ-KRWDZBQOSA-N
MW292.39 g/mol
LogP3.31
Rot. Bonds3

About 1-methyl-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]benzimidazole

1-methyl-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]benzimidazole (PubChem CID 95723533) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-methyl-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]benzimidazole
PubChem CID95723533
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name1-methyl-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]benzimidazole
SMILESCn1c([C@@H]2CCCN2Cc2ccccn2)nc2ccccc21
InChIInChI=1S/C18H20N4/c1-21-16-9-3-2-8-15(16)20-18(21)17-10-6-12-22(17)13-14-7-4-5-11-19-14/h2-5,7-9,11,17H,6,10,12-13H2,1H3/t17-/m0/s1
InChIKeyIQVGDRQWASWPMJ-KRWDZBQOSA-N
XLogP3.31
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-[1-[3-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-yl]benzimidazole
CID 167934115
5-[[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
CID 124752027
2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride
CID 138112738
2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 92626481
1-methyl-2-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzimidazole
CID 124943222
2-[[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
CID 95633051
N-ethyl-N-propyl-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide
CID 131670926
1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 42536555
2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817945
2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 95839903
2-(4-methoxyphenoxy)-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 95843466
1-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]benzimidazole
CID 94179592

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]benzimidazole?
The IUPAC name of 1-methyl-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]benzimidazole (CID 95723533) is 1-methyl-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]benzimidazole?
The canonical SMILES for 1-methyl-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]benzimidazole is Cn1c([C@@H]2CCCN2Cc2ccccn2)nc2ccccc21.
What is the InChIKey of 1-methyl-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]benzimidazole?
The InChIKey is IQVGDRQWASWPMJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N4/c1-21-16-9-3-2-8-15(16)20-18(21)17-10-6-12-22(17)13-14-7-4-5-11-19-14/h2-5,7-9,11,17H,6,10,12-13H2,1H3/t17-/m0/s1.
What are the key properties of 1-methyl-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]benzimidazole?
1-methyl-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]benzimidazole has a molecular weight of 292.39 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]benzimidazole is sourced from PubChem (CID 95723533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).