1-(3-chlorophenyl)-3-[1-methyl-5-[(2-methylphenyl)methylidene]-4-oxoimidazolidin-2-ylidene]urea

C19H17ClN4O2 — CID 137136357

IUPAC1-(3-chlorophenyl)-3-[1-methyl-5-[(2-methylphenyl)methylidene]-4-oxoimidazolidin-2-ylidene]urea
SMILESCc1ccccc1C=C1C(=O)NC(=NC(=O)Nc2cccc(Cl)c2)N1C
InChIInChI=1S/C19H17ClN4O2/c1-12-6-3-4-7-13(12)10-16-17(25)22-18(24(16)2)23-19(26)21-15-9-5-8-14(20)11-15/h3-11H,1-2H3,(H2,21,22,23,25,26)
InChIKeyMUGDQGWBFZSZFD-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.64
Rot. Bonds2

About 1-(3-chlorophenyl)-3-[1-methyl-5-[(2-methylphenyl)methylidene]-4-oxoimidazolidin-2-ylidene]urea

1-(3-chlorophenyl)-3-[1-methyl-5-[(2-methylphenyl)methylidene]-4-oxoimidazolidin-2-ylidene]urea (PubChem CID 137136357) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[1-methyl-5-[(2-methylphenyl)methylidene]-4-oxoimidazolidin-2-ylidene]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[1-methyl-5-[(2-methylphenyl)methylidene]-4-oxoimidazolidin-2-ylidene]urea
PubChem CID137136357
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name1-(3-chlorophenyl)-3-[1-methyl-5-[(2-methylphenyl)methylidene]-4-oxoimidazolidin-2-ylidene]urea
SMILESCc1ccccc1C=C1C(=O)NC(=NC(=O)Nc2cccc(Cl)c2)N1C
InChIInChI=1S/C19H17ClN4O2/c1-12-6-3-4-7-13(12)10-16-17(25)22-18(24(16)2)23-19(26)21-15-9-5-8-14(20)11-15/h3-11H,1-2H3,(H2,21,22,23,25,26)
InChIKeyMUGDQGWBFZSZFD-UHFFFAOYSA-N
XLogP3.64
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-3-[5-[(4-methoxyphenyl)methylidene]-1-methyl-4-oxoimidazolidin-2-ylidene]urea
CID 137122963
bis((3E)-1-(3-chlorophenyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea);hydrate
CID 139182832
(3-chlorophenyl)urea;1,2-xylene
CID 70502289
(3-chlorophenyl)carbamoyliminocarbamic acid
CID 69123741
1-(2-chloro-1-hydroxy-4-pyridinylidene)-3-(3-chlorophenyl)urea
CID 54386598
(E)-but-2-enedioic acid;(3-chlorophenyl)carbamic acid
CID 162332923
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
1-(3-chlorophenyl)-3-phenyliminourea
CID 10801288
N-[(Z)-3-[3-[2-(3-chloroanilino)-2-oxoethyl]sulfanylanilino]-1-(2-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19313162
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16632893
N-(3-chlorophenyl)-4-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 56624581

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[1-methyl-5-[(2-methylphenyl)methylidene]-4-oxoimidazolidin-2-ylidene]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[1-methyl-5-[(2-methylphenyl)methylidene]-4-oxoimidazolidin-2-ylidene]urea (CID 137136357) is 1-(3-chlorophenyl)-3-[1-methyl-5-[(2-methylphenyl)methylidene]-4-oxoimidazolidin-2-ylidene]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[1-methyl-5-[(2-methylphenyl)methylidene]-4-oxoimidazolidin-2-ylidene]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[1-methyl-5-[(2-methylphenyl)methylidene]-4-oxoimidazolidin-2-ylidene]urea is Cc1ccccc1C=C1C(=O)NC(=NC(=O)Nc2cccc(Cl)c2)N1C.
What is the InChIKey of 1-(3-chlorophenyl)-3-[1-methyl-5-[(2-methylphenyl)methylidene]-4-oxoimidazolidin-2-ylidene]urea?
The InChIKey is MUGDQGWBFZSZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-12-6-3-4-7-13(12)10-16-17(25)22-18(24(16)2)23-19(26)21-15-9-5-8-14(20)11-15/h3-11H,1-2H3,(H2,21,22,23,25,26).
What are the key properties of 1-(3-chlorophenyl)-3-[1-methyl-5-[(2-methylphenyl)methylidene]-4-oxoimidazolidin-2-ylidene]urea?
1-(3-chlorophenyl)-3-[1-methyl-5-[(2-methylphenyl)methylidene]-4-oxoimidazolidin-2-ylidene]urea has a molecular weight of 368.82 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[1-methyl-5-[(2-methylphenyl)methylidene]-4-oxoimidazolidin-2-ylidene]urea is sourced from PubChem (CID 137136357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).