2-(3-chloro-2-methylanilino)-1-cyclopentyl-4H-imidazol-5-one

C15H18ClN3O — CID 3229033

IUPAC2-(3-chloro-2-methylanilino)-1-cyclopentyl-4H-imidazol-5-one
SMILESCc1c(Cl)cccc1NC1=NCC(=O)N1C1CCCC1
InChIInChI=1S/C15H18ClN3O/c1-10-12(16)7-4-8-13(10)18-15-17-9-14(20)19(15)11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H,17,18)
InChIKeyGHGQKXZYRGUKGF-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.20
Rot. Bonds2

About 2-(3-chloro-2-methylanilino)-1-cyclopentyl-4H-imidazol-5-one

2-(3-chloro-2-methylanilino)-1-cyclopentyl-4H-imidazol-5-one (PubChem CID 3229033) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)-1-cyclopentyl-4H-imidazol-5-one.

Molecular Properties

Compound Name2-(3-chloro-2-methylanilino)-1-cyclopentyl-4H-imidazol-5-one
PubChem CID3229033
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-(3-chloro-2-methylanilino)-1-cyclopentyl-4H-imidazol-5-one
SMILESCc1c(Cl)cccc1NC1=NCC(=O)N1C1CCCC1
InChIInChI=1S/C15H18ClN3O/c1-10-12(16)7-4-8-13(10)18-15-17-9-14(20)19(15)11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H,17,18)
InChIKeyGHGQKXZYRGUKGF-UHFFFAOYSA-N
XLogP3.20
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylanilino)-1-cyclopentyl-4H-imidazol-5-one?
The IUPAC name of 2-(3-chloro-2-methylanilino)-1-cyclopentyl-4H-imidazol-5-one (CID 3229033) is 2-(3-chloro-2-methylanilino)-1-cyclopentyl-4H-imidazol-5-one.
What is the SMILES notation for 2-(3-chloro-2-methylanilino)-1-cyclopentyl-4H-imidazol-5-one?
The canonical SMILES for 2-(3-chloro-2-methylanilino)-1-cyclopentyl-4H-imidazol-5-one is Cc1c(Cl)cccc1NC1=NCC(=O)N1C1CCCC1.
What is the InChIKey of 2-(3-chloro-2-methylanilino)-1-cyclopentyl-4H-imidazol-5-one?
The InChIKey is GHGQKXZYRGUKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-10-12(16)7-4-8-13(10)18-15-17-9-14(20)19(15)11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H,17,18).
What are the key properties of 2-(3-chloro-2-methylanilino)-1-cyclopentyl-4H-imidazol-5-one?
2-(3-chloro-2-methylanilino)-1-cyclopentyl-4H-imidazol-5-one has a molecular weight of 291.78 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylanilino)-1-cyclopentyl-4H-imidazol-5-one is sourced from PubChem (CID 3229033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).