(1E)-1-[2-amino-4-(4-chlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide;dihydrochloride

C19H19Cl3N6 — CID 18937950

IUPAC(1E)-1-[2-amino-4-(4-chlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1cccc2c1CC/C2=N\n1cc(-c2ccc(Cl)cc2)nc1N
InChIInChI=1S/C19H17ClN6.2ClH/c20-12-6-4-11(5-7-12)17-10-26(19(23)24-17)25-16-9-8-13-14(16)2-1-3-15(13)18(21)22;;/h1-7,10H,8-9H2,(H3,21,22)(H2,23,24);2*1H/b25-16+;;
InChIKeyIVRVGCCAXBBWRT-BYEGLACWSA-N
MW437.76 g/mol
LogP4.11
Rot. Bonds3

About (1E)-1-[2-amino-4-(4-chlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide;dihydrochloride

(1E)-1-[2-amino-4-(4-chlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide;dihydrochloride (PubChem CID 18937950) has the molecular formula C19H19Cl3N6 and a molecular weight of 437.76 g/mol. Its IUPAC name is (1E)-1-[2-amino-4-(4-chlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide;dihydrochloride.

Molecular Properties

Compound Name(1E)-1-[2-amino-4-(4-chlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide;dihydrochloride
PubChem CID18937950
Molecular FormulaC19H19Cl3N6
Molecular Weight437.76 g/mol
Exact Mass436.07
IUPAC Name(1E)-1-[2-amino-4-(4-chlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1cccc2c1CC/C2=N\n1cc(-c2ccc(Cl)cc2)nc1N
InChIInChI=1S/C19H17ClN6.2ClH/c20-12-6-4-11(5-7-12)17-10-26(19(23)24-17)25-16-9-8-13-14(16)2-1-3-15(13)18(21)22;;/h1-7,10H,8-9H2,(H3,21,22)(H2,23,24);2*1H/b25-16+;;
InChIKeyIVRVGCCAXBBWRT-BYEGLACWSA-N
XLogP4.11
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.76
LogP ≤ 54.11
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 (1E)-1-[2-amino-4-(4-chlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide;dihydrochloride?
The IUPAC name of (1E)-1-[2-amino-4-(4-chlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide;dihydrochloride (CID 18937950) is (1E)-1-[2-amino-4-(4-chlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide;dihydrochloride.
What is the SMILES notation for (1E)-1-[2-amino-4-(4-chlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide;dihydrochloride?
The canonical SMILES for (1E)-1-[2-amino-4-(4-chlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)c1cccc2c1CC/C2=N\n1cc(-c2ccc(Cl)cc2)nc1N.
What is the InChIKey of (1E)-1-[2-amino-4-(4-chlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide;dihydrochloride?
The InChIKey is IVRVGCCAXBBWRT-BYEGLACWSA-N. The full InChI is InChI=1S/C19H17ClN6.2ClH/c20-12-6-4-11(5-7-12)17-10-26(19(23)24-17)25-16-9-8-13-14(16)2-1-3-15(13)18(21)22;;/h1-7,10H,8-9H2,(H3,21,22)(H2,23,24);2*1H/b25-16+;;.
What are the key properties of (1E)-1-[2-amino-4-(4-chlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide;dihydrochloride?
(1E)-1-[2-amino-4-(4-chlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide;dihydrochloride has a molecular weight of 437.76 g/mol, XLogP of 4.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[2-amino-4-(4-chlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide;dihydrochloride is sourced from PubChem (CID 18937950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).