N-[(2-chloro-4-cyanocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide

C14H17ClN4O2 — CID 71054477

IUPACN-[(2-chloro-4-cyanocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1CC(C(=O)NCC2=C(Cl)CC(C#N)C=C2)N(C)C1=O
InChIInChI=1S/C14H17ClN4O2/c1-18-8-12(19(2)14(18)21)13(20)17-7-10-4-3-9(6-16)5-11(10)15/h3-4,9,12H,5,7-8H2,1-2H3,(H,17,20)
InChIKeyLTFQKFGVKNZXDQ-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.06
Rot. Bonds3

About N-[(2-chloro-4-cyanocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide

N-[(2-chloro-4-cyanocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 71054477) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is N-[(2-chloro-4-cyanocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-cyanocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
PubChem CID71054477
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC NameN-[(2-chloro-4-cyanocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1CC(C(=O)NCC2=C(Cl)CC(C#N)C=C2)N(C)C1=O
InChIInChI=1S/C14H17ClN4O2/c1-18-8-12(19(2)14(18)21)13(20)17-7-10-4-3-9(6-16)5-11(10)15/h3-4,9,12H,5,7-8H2,1-2H3,(H,17,20)
InChIKeyLTFQKFGVKNZXDQ-UHFFFAOYSA-N
XLogP1.06
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-cyanocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[(2-chloro-4-cyanocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide (CID 71054477) is N-[(2-chloro-4-cyanocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-cyanocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[(2-chloro-4-cyanocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide is CN1CC(C(=O)NCC2=C(Cl)CC(C#N)C=C2)N(C)C1=O.
What is the InChIKey of N-[(2-chloro-4-cyanocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is LTFQKFGVKNZXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-18-8-12(19(2)14(18)21)13(20)17-7-10-4-3-9(6-16)5-11(10)15/h3-4,9,12H,5,7-8H2,1-2H3,(H,17,20).
What are the key properties of N-[(2-chloro-4-cyanocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
N-[(2-chloro-4-cyanocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 308.77 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-cyanocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71054477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).