1-(cyclopropylmethyl)-N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide

C16H21Cl2N3O2 — CID 89230129

IUPAC1-(cyclopropylmethyl)-N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)N(CC2CC2)CC1C(=O)NCC1=C(Cl)CC(Cl)C=C1
InChIInChI=1S/C16H21Cl2N3O2/c1-20-14(9-21(16(20)23)8-10-2-3-10)15(22)19-7-11-4-5-12(17)6-13(11)18/h4-5,10,12,14H,2-3,6-9H2,1H3,(H,19,22)
InChIKeyVOUBJDOQFNIPLV-UHFFFAOYSA-N
MW358.27 g/mol
LogP2.31
Rot. Bonds5

About 1-(cyclopropylmethyl)-N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide

1-(cyclopropylmethyl)-N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 89230129) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
PubChem CID89230129
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC Name1-(cyclopropylmethyl)-N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)N(CC2CC2)CC1C(=O)NCC1=C(Cl)CC(Cl)C=C1
InChIInChI=1S/C16H21Cl2N3O2/c1-20-14(9-21(16(20)23)8-10-2-3-10)15(22)19-7-11-4-5-12(17)6-13(11)18/h4-5,10,12,14H,2-3,6-9H2,1H3,(H,19,22)
InChIKeyVOUBJDOQFNIPLV-UHFFFAOYSA-N
XLogP2.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 71054437
N-[[2-chloro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide
CID 71054449
N-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide
CID 71054451
N-[(2,4-dichloro-6-fluorocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 89230099
N-[(2,4-dichloro-6-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 89230131
N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxamide
CID 89230191
N-[(2,3-dichloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 89230198
N-[[4-chloro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 89230199
N-[(2-chloro-4-cyanocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 71054477
1,3-dimethyl-2-oxo-N-[(2,4,6-trichlorocyclohexa-1,5-dien-1-yl)methyl]imidazolidine-4-carboxamide
CID 89230100
3-methyl-2-oxo-N-[(2,4,6-trichlorocyclohexa-1,5-dien-1-yl)methyl]imidazolidine-4-carboxamide
CID 89230130
N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 89230142

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide (CID 89230129) is 1-(cyclopropylmethyl)-N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide is CN1C(=O)N(CC2CC2)CC1C(=O)NCC1=C(Cl)CC(Cl)C=C1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is VOUBJDOQFNIPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O2/c1-20-14(9-21(16(20)23)8-10-2-3-10)15(22)19-7-11-4-5-12(17)6-13(11)18/h4-5,10,12,14H,2-3,6-9H2,1H3,(H,19,22).
What are the key properties of 1-(cyclopropylmethyl)-N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
1-(cyclopropylmethyl)-N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 358.27 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 89230129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).