1-methyl-3-(1-pyrrolidin-3-ylpiperidin-4-yl)benzimidazol-2-one

C17H24N4O — CID 141196674

IUPAC1-methyl-3-(1-pyrrolidin-3-ylpiperidin-4-yl)benzimidazol-2-one
SMILESCn1c(=O)n(C2CCN(C3CCNC3)CC2)c2ccccc21
InChIInChI=1S/C17H24N4O/c1-19-15-4-2-3-5-16(15)21(17(19)22)13-7-10-20(11-8-13)14-6-9-18-12-14/h2-5,13-14,18H,6-12H2,1H3
InChIKeyHQFYCLWYHZDAEK-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.34
Rot. Bonds2

About 1-methyl-3-(1-pyrrolidin-3-ylpiperidin-4-yl)benzimidazol-2-one

1-methyl-3-(1-pyrrolidin-3-ylpiperidin-4-yl)benzimidazol-2-one (PubChem CID 141196674) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-methyl-3-(1-pyrrolidin-3-ylpiperidin-4-yl)benzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-(1-pyrrolidin-3-ylpiperidin-4-yl)benzimidazol-2-one
PubChem CID141196674
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-methyl-3-(1-pyrrolidin-3-ylpiperidin-4-yl)benzimidazol-2-one
SMILESCn1c(=O)n(C2CCN(C3CCNC3)CC2)c2ccccc21
InChIInChI=1S/C17H24N4O/c1-19-15-4-2-3-5-16(15)21(17(19)22)13-7-10-20(11-8-13)14-6-9-18-12-14/h2-5,13-14,18H,6-12H2,1H3
InChIKeyHQFYCLWYHZDAEK-UHFFFAOYSA-N
XLogP1.34
TPSA42.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[(3S)-pyrrolidin-3-yl]benzimidazol-2-one
CID 162422973
3-methyl-2-oxo-1-pyrrolidin-3-ylbenzimidazole-5-carboxylic acid
CID 84638551
5-chloro-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262113
1-fluoro-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride
CID 18789484
2-(2-oxo-3-pyrrolidin-3-ylbenzimidazol-1-yl)acetaldehyde
CID 59708343
1,4,5-trimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one
CID 84632027
6-fluoro-3-[1-[(3S)-pyrrolidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 141196679
1-(2-phenylethyl)-3-piperidin-4-ylbenzimidazol-2-one
CID 154396127
2-(4-bromobutyl)-3H-isoindol-1-one;ethane;1-methyl-3-piperidin-4-ylbenzimidazol-2-one
CID 54505178
7-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262818
6-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262488
7-methoxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262819

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-pyrrolidin-3-ylpiperidin-4-yl)benzimidazol-2-one?
The IUPAC name of 1-methyl-3-(1-pyrrolidin-3-ylpiperidin-4-yl)benzimidazol-2-one (CID 141196674) is 1-methyl-3-(1-pyrrolidin-3-ylpiperidin-4-yl)benzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-(1-pyrrolidin-3-ylpiperidin-4-yl)benzimidazol-2-one?
The canonical SMILES for 1-methyl-3-(1-pyrrolidin-3-ylpiperidin-4-yl)benzimidazol-2-one is Cn1c(=O)n(C2CCN(C3CCNC3)CC2)c2ccccc21.
What is the InChIKey of 1-methyl-3-(1-pyrrolidin-3-ylpiperidin-4-yl)benzimidazol-2-one?
The InChIKey is HQFYCLWYHZDAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-19-15-4-2-3-5-16(15)21(17(19)22)13-7-10-20(11-8-13)14-6-9-18-12-14/h2-5,13-14,18H,6-12H2,1H3.
What are the key properties of 1-methyl-3-(1-pyrrolidin-3-ylpiperidin-4-yl)benzimidazol-2-one?
1-methyl-3-(1-pyrrolidin-3-ylpiperidin-4-yl)benzimidazol-2-one has a molecular weight of 300.41 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-pyrrolidin-3-ylpiperidin-4-yl)benzimidazol-2-one is sourced from PubChem (CID 141196674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).