carbanide;1-(4-fluorophenyl)-4-(2-quinolin-8-ylbenzimidazol-1-yl)butan-1-one;trichloroplatinum

C27H23Cl3FN3OPt- — CID 58251828

IUPACcarbanide;1-(4-fluorophenyl)-4-(2-quinolin-8-ylbenzimidazol-1-yl)butan-1-one;trichloroplatinum
SMILESCl[Pt](Cl)Cl.O=C(CCCn1c(-c2cccc3cccnc23)nc2ccccc21)c1ccc(F)cc1.[CH3-]
InChIInChI=1S/C26H20FN3O.CH3.3ClH.Pt/c27-20-14-12-18(13-15-20)24(31)11-5-17-30-23-10-2-1-9-22(23)29-26(30)21-8-3-6-19-7-4-16-28-25(19)21;;;;;/h1-4,6-10,12-16H,5,11,17H2;1H3;3*1H;/q;-1;;;;+3/p-3
InChIKeyZCNANRLCEVFYJL-UHFFFAOYSA-K
MW725.94 g/mol
LogP8.57
Rot. Bonds6

About carbanide;1-(4-fluorophenyl)-4-(2-quinolin-8-ylbenzimidazol-1-yl)butan-1-one;trichloroplatinum

carbanide;1-(4-fluorophenyl)-4-(2-quinolin-8-ylbenzimidazol-1-yl)butan-1-one;trichloroplatinum (PubChem CID 58251828) has the molecular formula C27H23Cl3FN3OPt- and a molecular weight of 725.94 g/mol. Its IUPAC name is carbanide;1-(4-fluorophenyl)-4-(2-quinolin-8-ylbenzimidazol-1-yl)butan-1-one;trichloroplatinum.

Molecular Properties

Compound Namecarbanide;1-(4-fluorophenyl)-4-(2-quinolin-8-ylbenzimidazol-1-yl)butan-1-one;trichloroplatinum
PubChem CID58251828
Molecular FormulaC27H23Cl3FN3OPt-
Molecular Weight725.94 g/mol
Exact Mass724.05
IUPAC Namecarbanide;1-(4-fluorophenyl)-4-(2-quinolin-8-ylbenzimidazol-1-yl)butan-1-one;trichloroplatinum
SMILESCl[Pt](Cl)Cl.O=C(CCCn1c(-c2cccc3cccnc23)nc2ccccc21)c1ccc(F)cc1.[CH3-]
InChIInChI=1S/C26H20FN3O.CH3.3ClH.Pt/c27-20-14-12-18(13-15-20)24(31)11-5-17-30-23-10-2-1-9-22(23)29-26(30)21-8-3-6-19-7-4-16-28-25(19)21;;;;;/h1-4,6-10,12-16H,5,11,17H2;1H3;3*1H;/q;-1;;;;+3/p-3
InChIKeyZCNANRLCEVFYJL-UHFFFAOYSA-K
XLogP8.57
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.94
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

carbanide;8-(1-propylbenzimidazol-2-yl)quinoline;trichloroplatinum
CID 58251767
2-(2-quinolin-8-ylbenzimidazol-1-yl)acetic acid
CID 42634637
dichloroplatinum;8-[1-(3-methylbutyl)benzimidazol-2-yl]quinoline
CID 58251814
4-(benzimidazol-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 43218269
dichloroplatinum;(2-quinolin-8-ylbenzimidazol-1-yl)methyl formate
CID 58251826
difluoro-(2-quinolin-8-ylbenzimidazol-1-yl)borane
CID 132535146
8-(1-phenylbenzimidazol-2-yl)quinoline
CID 23527786
1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylquinoxalin-2-one
CID 95921163
2-(4-fluorophenyl)-1-pentylbenzimidazole
CID 19243184
4-[4-[(1-benzylbenzimidazol-2-yl)amino]piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 12891552
5-(dimethylamino)-N-[2-(2-quinolin-8-ylbenzimidazol-1-yl)ethyl]naphthalene-1-sulfonamide
CID 42634812
2-(4-fluorophenyl)-1-hexylbenzimidazole
CID 19243183

Frequently Asked Questions

What is the IUPAC name of carbanide;1-(4-fluorophenyl)-4-(2-quinolin-8-ylbenzimidazol-1-yl)butan-1-one;trichloroplatinum?
The IUPAC name of carbanide;1-(4-fluorophenyl)-4-(2-quinolin-8-ylbenzimidazol-1-yl)butan-1-one;trichloroplatinum (CID 58251828) is carbanide;1-(4-fluorophenyl)-4-(2-quinolin-8-ylbenzimidazol-1-yl)butan-1-one;trichloroplatinum.
What is the SMILES notation for carbanide;1-(4-fluorophenyl)-4-(2-quinolin-8-ylbenzimidazol-1-yl)butan-1-one;trichloroplatinum?
The canonical SMILES for carbanide;1-(4-fluorophenyl)-4-(2-quinolin-8-ylbenzimidazol-1-yl)butan-1-one;trichloroplatinum is Cl[Pt](Cl)Cl.O=C(CCCn1c(-c2cccc3cccnc23)nc2ccccc21)c1ccc(F)cc1.[CH3-].
What is the InChIKey of carbanide;1-(4-fluorophenyl)-4-(2-quinolin-8-ylbenzimidazol-1-yl)butan-1-one;trichloroplatinum?
The InChIKey is ZCNANRLCEVFYJL-UHFFFAOYSA-K. The full InChI is InChI=1S/C26H20FN3O.CH3.3ClH.Pt/c27-20-14-12-18(13-15-20)24(31)11-5-17-30-23-10-2-1-9-22(23)29-26(30)21-8-3-6-19-7-4-16-28-25(19)21;;;;;/h1-4,6-10,12-16H,5,11,17H2;1H3;3*1H;/q;-1;;;;+3/p-3.
What are the key properties of carbanide;1-(4-fluorophenyl)-4-(2-quinolin-8-ylbenzimidazol-1-yl)butan-1-one;trichloroplatinum?
carbanide;1-(4-fluorophenyl)-4-(2-quinolin-8-ylbenzimidazol-1-yl)butan-1-one;trichloroplatinum has a molecular weight of 725.94 g/mol, XLogP of 8.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-(4-fluorophenyl)-4-(2-quinolin-8-ylbenzimidazol-1-yl)butan-1-one;trichloroplatinum is sourced from PubChem (CID 58251828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).