6-chloro-1,4-dimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one

C13H16ClN3O — CID 84640105

IUPAC6-chloro-1,4-dimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one
SMILESCc1cc(Cl)cc2c1n(C1CCNC1)c(=O)n2C
InChIInChI=1S/C13H16ClN3O/c1-8-5-9(14)6-11-12(8)17(13(18)16(11)2)10-3-4-15-7-10/h5-6,10,15H,3-4,7H2,1-2H3
InChIKeyVCHLSBPBEKKWOJ-UHFFFAOYSA-N
MW265.74 g/mol
LogP1.84
Rot. Bonds1

About 6-chloro-1,4-dimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one

6-chloro-1,4-dimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one (PubChem CID 84640105) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 6-chloro-1,4-dimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one.

Molecular Properties

Compound Name6-chloro-1,4-dimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one
PubChem CID84640105
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name6-chloro-1,4-dimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one
SMILESCc1cc(Cl)cc2c1n(C1CCNC1)c(=O)n2C
InChIInChI=1S/C13H16ClN3O/c1-8-5-9(14)6-11-12(8)17(13(18)16(11)2)10-3-4-15-7-10/h5-6,10,15H,3-4,7H2,1-2H3
InChIKeyVCHLSBPBEKKWOJ-UHFFFAOYSA-N
XLogP1.84
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4,5-trimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one
CID 84632027
1-methyl-3-[(3S)-pyrrolidin-3-yl]benzimidazol-2-one
CID 162422973
5-chloro-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262113
4,6-difluoro-3-methyl-1-pyrrolidin-3-ylbenzimidazol-2-one
CID 84634890
3-methyl-2-oxo-1-pyrrolidin-3-ylbenzimidazole-5-carboxylic acid
CID 84638551
7-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262818
7-methoxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262819
6-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262488
1-methyl-3-(1-pyrrolidin-3-ylpiperidin-4-yl)benzimidazol-2-one
CID 141196674
6-chloro-1-[(3R)-pyrrolidin-3-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 59594592
7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-[(3S)-pyrrolidin-3-yl]purin-8-one
CID 146273873
3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-pyrrolidin-3-ylimidazo[4,5-c]quinolin-2-one
CID 118101793

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,4-dimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one?
The IUPAC name of 6-chloro-1,4-dimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one (CID 84640105) is 6-chloro-1,4-dimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one.
What is the SMILES notation for 6-chloro-1,4-dimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one?
The canonical SMILES for 6-chloro-1,4-dimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one is Cc1cc(Cl)cc2c1n(C1CCNC1)c(=O)n2C.
What is the InChIKey of 6-chloro-1,4-dimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one?
The InChIKey is VCHLSBPBEKKWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-8-5-9(14)6-11-12(8)17(13(18)16(11)2)10-3-4-15-7-10/h5-6,10,15H,3-4,7H2,1-2H3.
What are the key properties of 6-chloro-1,4-dimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one?
6-chloro-1,4-dimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one has a molecular weight of 265.74 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,4-dimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one is sourced from PubChem (CID 84640105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).