1-methyl-2-(1-piperidin-4-ylpyrrolidin-2-yl)benzimidazole

C17H24N4 — CID 61020903

IUPAC1-methyl-2-(1-piperidin-4-ylpyrrolidin-2-yl)benzimidazole
SMILESCn1c(C2CCCN2C2CCNCC2)nc2ccccc21
InChIInChI=1S/C17H24N4/c1-20-15-6-3-2-5-14(15)19-17(20)16-7-4-12-21(16)13-8-10-18-11-9-13/h2-3,5-6,13,16,18H,4,7-12H2,1H3
InChIKeyIXMKWFZIQFVVKG-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.46
Rot. Bonds2

About 1-methyl-2-(1-piperidin-4-ylpyrrolidin-2-yl)benzimidazole

1-methyl-2-(1-piperidin-4-ylpyrrolidin-2-yl)benzimidazole (PubChem CID 61020903) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-methyl-2-(1-piperidin-4-ylpyrrolidin-2-yl)benzimidazole.

Molecular Properties

Compound Name1-methyl-2-(1-piperidin-4-ylpyrrolidin-2-yl)benzimidazole
PubChem CID61020903
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-methyl-2-(1-piperidin-4-ylpyrrolidin-2-yl)benzimidazole
SMILESCn1c(C2CCCN2C2CCNCC2)nc2ccccc21
InChIInChI=1S/C17H24N4/c1-20-15-6-3-2-5-14(15)19-17(20)16-7-4-12-21(16)13-8-10-18-11-9-13/h2-3,5-6,13,16,18H,4,7-12H2,1H3
InChIKeyIXMKWFZIQFVVKG-UHFFFAOYSA-N
XLogP2.46
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
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
1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 42536555
1-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]benzimidazole
CID 94179592
1-methyl-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]benzimidazole
CID 95723533
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole
CID 22636344
1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride
CID 171779762
4-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]-2H-isoquinolin-1-one
CID 75490065
[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 94571162
[(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 94571163
[(1S,2R)-2-ethoxycyclopropyl]-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124808785
3-piperidin-4-yl-2-(1-propan-2-ylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162235
[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 94640308

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-piperidin-4-ylpyrrolidin-2-yl)benzimidazole?
The IUPAC name of 1-methyl-2-(1-piperidin-4-ylpyrrolidin-2-yl)benzimidazole (CID 61020903) is 1-methyl-2-(1-piperidin-4-ylpyrrolidin-2-yl)benzimidazole.
What is the SMILES notation for 1-methyl-2-(1-piperidin-4-ylpyrrolidin-2-yl)benzimidazole?
The canonical SMILES for 1-methyl-2-(1-piperidin-4-ylpyrrolidin-2-yl)benzimidazole is Cn1c(C2CCCN2C2CCNCC2)nc2ccccc21.
What is the InChIKey of 1-methyl-2-(1-piperidin-4-ylpyrrolidin-2-yl)benzimidazole?
The InChIKey is IXMKWFZIQFVVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-20-15-6-3-2-5-14(15)19-17(20)16-7-4-12-21(16)13-8-10-18-11-9-13/h2-3,5-6,13,16,18H,4,7-12H2,1H3.
What are the key properties of 1-methyl-2-(1-piperidin-4-ylpyrrolidin-2-yl)benzimidazole?
1-methyl-2-(1-piperidin-4-ylpyrrolidin-2-yl)benzimidazole has a molecular weight of 284.41 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-piperidin-4-ylpyrrolidin-2-yl)benzimidazole is sourced from PubChem (CID 61020903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).