5-[5-[2-(2-chlorophenyl)ethyl-methylamino]hexanoyl]-1,3-dimethylbenzimidazol-2-one

C24H30ClN3O2 — CID 11683356

IUPAC5-[5-[2-(2-chlorophenyl)ethyl-methylamino]hexanoyl]-1,3-dimethylbenzimidazol-2-one
SMILESCC(CCCC(=O)c1ccc2c(c1)n(C)c(=O)n2C)N(C)CCc1ccccc1Cl
InChIInChI=1S/C24H30ClN3O2/c1-17(26(2)15-14-18-9-5-6-10-20(18)25)8-7-11-23(29)19-12-13-21-22(16-19)28(4)24(30)27(21)3/h5-6,9-10,12-13,16-17H,7-8,11,14-15H2,1-4H3
InChIKeyFRCQCDMKKCSQDH-UHFFFAOYSA-N
MW427.98 g/mol
LogP4.45
Rot. Bonds9

About 5-[5-[2-(2-chlorophenyl)ethyl-methylamino]hexanoyl]-1,3-dimethylbenzimidazol-2-one

5-[5-[2-(2-chlorophenyl)ethyl-methylamino]hexanoyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 11683356) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is 5-[5-[2-(2-chlorophenyl)ethyl-methylamino]hexanoyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[5-[2-(2-chlorophenyl)ethyl-methylamino]hexanoyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID11683356
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC Name5-[5-[2-(2-chlorophenyl)ethyl-methylamino]hexanoyl]-1,3-dimethylbenzimidazol-2-one
SMILESCC(CCCC(=O)c1ccc2c(c1)n(C)c(=O)n2C)N(C)CCc1ccccc1Cl
InChIInChI=1S/C24H30ClN3O2/c1-17(26(2)15-14-18-9-5-6-10-20(18)25)8-7-11-23(29)19-12-13-21-22(16-19)28(4)24(30)27(21)3/h5-6,9-10,12-13,16-17H,7-8,11,14-15H2,1-4H3
InChIKeyFRCQCDMKKCSQDH-UHFFFAOYSA-N
XLogP4.45
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-(2-chlorophenyl)ethyl-methylamino]hexanoyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[5-[2-(2-chlorophenyl)ethyl-methylamino]hexanoyl]-1,3-dimethylbenzimidazol-2-one (CID 11683356) is 5-[5-[2-(2-chlorophenyl)ethyl-methylamino]hexanoyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[5-[2-(2-chlorophenyl)ethyl-methylamino]hexanoyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[5-[2-(2-chlorophenyl)ethyl-methylamino]hexanoyl]-1,3-dimethylbenzimidazol-2-one is CC(CCCC(=O)c1ccc2c(c1)n(C)c(=O)n2C)N(C)CCc1ccccc1Cl.
What is the InChIKey of 5-[5-[2-(2-chlorophenyl)ethyl-methylamino]hexanoyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is FRCQCDMKKCSQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-17(26(2)15-14-18-9-5-6-10-20(18)25)8-7-11-23(29)19-12-13-21-22(16-19)28(4)24(30)27(21)3/h5-6,9-10,12-13,16-17H,7-8,11,14-15H2,1-4H3.
What are the key properties of 5-[5-[2-(2-chlorophenyl)ethyl-methylamino]hexanoyl]-1,3-dimethylbenzimidazol-2-one?
5-[5-[2-(2-chlorophenyl)ethyl-methylamino]hexanoyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 427.98 g/mol, XLogP of 4.45, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-(2-chlorophenyl)ethyl-methylamino]hexanoyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 11683356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).