6-methyl-3-[1-(4-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one

C18H26N4O — CID 68633558

IUPAC6-methyl-3-[1-(4-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1ccc2c(c1)[nH]c(=O)n2C1CCN(C2CNCC2C)CC1
InChIInChI=1S/C18H26N4O/c1-12-3-4-16-15(9-12)20-18(23)22(16)14-5-7-21(8-6-14)17-11-19-10-13(17)2/h3-4,9,13-14,17,19H,5-8,10-11H2,1-2H3,(H,20,23)
InChIKeyDVTDYELLEUEYSI-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.88
Rot. Bonds2

About 6-methyl-3-[1-(4-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one

6-methyl-3-[1-(4-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 68633558) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 6-methyl-3-[1-(4-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-methyl-3-[1-(4-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID68633558
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name6-methyl-3-[1-(4-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1ccc2c(c1)[nH]c(=O)n2C1CCN(C2CNCC2C)CC1
InChIInChI=1S/C18H26N4O/c1-12-3-4-16-15(9-12)20-18(23)22(16)14-5-7-21(8-6-14)17-11-19-10-13(17)2/h3-4,9,13-14,17,19H,5-8,10-11H2,1-2H3,(H,20,23)
InChIKeyDVTDYELLEUEYSI-UHFFFAOYSA-N
XLogP1.88
TPSA53.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-3-(1-methylpyrrolidin-3-yl)-1H-benzimidazol-2-one
CID 117207011
6-fluoro-3-[1-[(3S)-pyrrolidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 141196679
3-(1-cyclohexylpiperidin-4-yl)-5-methyl-1H-benzimidazol-2-one
CID 145484811
5-methyl-3-[1-[(4R)-2-methyloxan-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
CID 172967946
6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 139785898
6-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 22380614
5-methyl-3-[1-(oxan-4-yl)pyrrolidin-3-yl]-1H-benzimidazol-2-one;hydrochloride
CID 69173233
tert-butyl 2-imino-4-methyl-4-[4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pentanoate
CID 175272601
6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 83415288
7-methyl-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261515
6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 70537571
5-methyl-3-[1-[4-(pyrrolidine-1-carbonyl)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 25029425

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[1-(4-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 6-methyl-3-[1-(4-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 68633558) is 6-methyl-3-[1-(4-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 6-methyl-3-[1-(4-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 6-methyl-3-[1-(4-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one is Cc1ccc2c(c1)[nH]c(=O)n2C1CCN(C2CNCC2C)CC1.
What is the InChIKey of 6-methyl-3-[1-(4-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is DVTDYELLEUEYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-12-3-4-16-15(9-12)20-18(23)22(16)14-5-7-21(8-6-14)17-11-19-10-13(17)2/h3-4,9,13-14,17,19H,5-8,10-11H2,1-2H3,(H,20,23).
What are the key properties of 6-methyl-3-[1-(4-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
6-methyl-3-[1-(4-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 314.43 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[1-(4-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 68633558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).