carbanide;8-(1-propylbenzimidazol-2-yl)quinoline;trichloroplatinum

C20H20Cl3N3Pt- — CID 58251767

IUPACcarbanide;8-(1-propylbenzimidazol-2-yl)quinoline;trichloroplatinum
SMILESCCCn1c(-c2cccc3cccnc23)nc2ccccc21.Cl[Pt](Cl)Cl.[CH3-]
InChIInChI=1S/C19H17N3.CH3.3ClH.Pt/c1-2-13-22-17-11-4-3-10-16(17)21-19(22)15-9-5-7-14-8-6-12-20-18(14)15;;;;;/h3-12H,2,13H2,1H3;1H3;3*1H;/q;-1;;;;+3/p-3
InChIKeyDXRNIOXRFWHHMT-UHFFFAOYSA-K
MW603.84 g/mol
LogP7.18
Rot. Bonds3

About carbanide;8-(1-propylbenzimidazol-2-yl)quinoline;trichloroplatinum

carbanide;8-(1-propylbenzimidazol-2-yl)quinoline;trichloroplatinum (PubChem CID 58251767) has the molecular formula C20H20Cl3N3Pt- and a molecular weight of 603.84 g/mol. Its IUPAC name is carbanide;8-(1-propylbenzimidazol-2-yl)quinoline;trichloroplatinum.

Molecular Properties

Compound Namecarbanide;8-(1-propylbenzimidazol-2-yl)quinoline;trichloroplatinum
PubChem CID58251767
Molecular FormulaC20H20Cl3N3Pt-
Molecular Weight603.84 g/mol
Exact Mass602.04
IUPAC Namecarbanide;8-(1-propylbenzimidazol-2-yl)quinoline;trichloroplatinum
SMILESCCCn1c(-c2cccc3cccnc23)nc2ccccc21.Cl[Pt](Cl)Cl.[CH3-]
InChIInChI=1S/C19H17N3.CH3.3ClH.Pt/c1-2-13-22-17-11-4-3-10-16(17)21-19(22)15-9-5-7-14-8-6-12-20-18(14)15;;;;;/h3-12H,2,13H2,1H3;1H3;3*1H;/q;-1;;;;+3/p-3
InChIKeyDXRNIOXRFWHHMT-UHFFFAOYSA-K
XLogP7.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.84
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dichloroplatinum;8-[1-(3-methylbutyl)benzimidazol-2-yl]quinoline
CID 58251814
carbanide;1-(4-fluorophenyl)-4-(2-quinolin-8-ylbenzimidazol-1-yl)butan-1-one;trichloroplatinum
CID 58251828
2-(2-quinolin-8-ylbenzimidazol-1-yl)acetic acid
CID 42634637
2-(2-chlorophenyl)-1-propylbenzimidazole
CID 4637054
dichloroplatinum;(2-quinolin-8-ylbenzimidazol-1-yl)methyl formate
CID 58251826
8-(1-phenylbenzimidazol-2-yl)quinoline
CID 23527786
difluoro-(2-quinolin-8-ylbenzimidazol-1-yl)borane
CID 132535146
5-(dimethylamino)-N-[2-(2-quinolin-8-ylbenzimidazol-1-yl)ethyl]naphthalene-1-sulfonamide
CID 42634812
2-(2,4-dichlorophenyl)-1-propylbenzimidazole
CID 16987669
2-(2-chlorophenyl)-1-heptylbenzimidazole
CID 18878773
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
1-dodecyl-2-(2-methylphenyl)benzimidazole
CID 17000610

Frequently Asked Questions

What is the IUPAC name of carbanide;8-(1-propylbenzimidazol-2-yl)quinoline;trichloroplatinum?
The IUPAC name of carbanide;8-(1-propylbenzimidazol-2-yl)quinoline;trichloroplatinum (CID 58251767) is carbanide;8-(1-propylbenzimidazol-2-yl)quinoline;trichloroplatinum.
What is the SMILES notation for carbanide;8-(1-propylbenzimidazol-2-yl)quinoline;trichloroplatinum?
The canonical SMILES for carbanide;8-(1-propylbenzimidazol-2-yl)quinoline;trichloroplatinum is CCCn1c(-c2cccc3cccnc23)nc2ccccc21.Cl[Pt](Cl)Cl.[CH3-].
What is the InChIKey of carbanide;8-(1-propylbenzimidazol-2-yl)quinoline;trichloroplatinum?
The InChIKey is DXRNIOXRFWHHMT-UHFFFAOYSA-K. The full InChI is InChI=1S/C19H17N3.CH3.3ClH.Pt/c1-2-13-22-17-11-4-3-10-16(17)21-19(22)15-9-5-7-14-8-6-12-20-18(14)15;;;;;/h3-12H,2,13H2,1H3;1H3;3*1H;/q;-1;;;;+3/p-3.
What are the key properties of carbanide;8-(1-propylbenzimidazol-2-yl)quinoline;trichloroplatinum?
carbanide;8-(1-propylbenzimidazol-2-yl)quinoline;trichloroplatinum has a molecular weight of 603.84 g/mol, XLogP of 7.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;8-(1-propylbenzimidazol-2-yl)quinoline;trichloroplatinum is sourced from PubChem (CID 58251767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).