1-[2-amino-4-(2,4-dichlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide

C19H16Cl2N6 — CID 57306774

IUPAC1-[2-amino-4-(2,4-dichlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide
SMILES[H]/N=C(\N)c1cccc2c1CCC2=Nn1cc(-c2ccc(Cl)cc2Cl)nc1N
InChIInChI=1S/C19H16Cl2N6/c20-10-4-5-14(15(21)8-10)17-9-27(19(24)25-17)26-16-7-6-11-12(16)2-1-3-13(11)18(22)23/h1-5,8-9H,6-7H2,(H3,22,23)(H2,24,25)
InChIKeyGMVKPJYWDYCWCR-UHFFFAOYSA-N
MW399.29 g/mol
LogP3.92
Rot. Bonds3

About 1-[2-amino-4-(2,4-dichlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide

1-[2-amino-4-(2,4-dichlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide (PubChem CID 57306774) has the molecular formula C19H16Cl2N6 and a molecular weight of 399.29 g/mol. Its IUPAC name is 1-[2-amino-4-(2,4-dichlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide.

Molecular Properties

Compound Name1-[2-amino-4-(2,4-dichlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide
PubChem CID57306774
Molecular FormulaC19H16Cl2N6
Molecular Weight399.29 g/mol
Exact Mass398.08
IUPAC Name1-[2-amino-4-(2,4-dichlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide
SMILES[H]/N=C(\N)c1cccc2c1CCC2=Nn1cc(-c2ccc(Cl)cc2Cl)nc1N
InChIInChI=1S/C19H16Cl2N6/c20-10-4-5-14(15(21)8-10)17-9-27(19(24)25-17)26-16-7-6-11-12(16)2-1-3-13(11)18(22)23/h1-5,8-9H,6-7H2,(H3,22,23)(H2,24,25)
InChIKeyGMVKPJYWDYCWCR-UHFFFAOYSA-N
XLogP3.92
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(2,4-dichlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide?
The IUPAC name of 1-[2-amino-4-(2,4-dichlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide (CID 57306774) is 1-[2-amino-4-(2,4-dichlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide.
What is the SMILES notation for 1-[2-amino-4-(2,4-dichlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide?
The canonical SMILES for 1-[2-amino-4-(2,4-dichlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide is [H]/N=C(\N)c1cccc2c1CCC2=Nn1cc(-c2ccc(Cl)cc2Cl)nc1N.
What is the InChIKey of 1-[2-amino-4-(2,4-dichlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide?
The InChIKey is GMVKPJYWDYCWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N6/c20-10-4-5-14(15(21)8-10)17-9-27(19(24)25-17)26-16-7-6-11-12(16)2-1-3-13(11)18(22)23/h1-5,8-9H,6-7H2,(H3,22,23)(H2,24,25).
What are the key properties of 1-[2-amino-4-(2,4-dichlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide?
1-[2-amino-4-(2,4-dichlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide has a molecular weight of 399.29 g/mol, XLogP of 3.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(2,4-dichlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide is sourced from PubChem (CID 57306774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).