dichloroplatinum;8-[1-(3-methylbutyl)benzimidazol-2-yl]quinoline

C21H21Cl2N3Pt — CID 58251814

IUPACdichloroplatinum;8-[1-(3-methylbutyl)benzimidazol-2-yl]quinoline
SMILESCC(C)CCn1c(-c2cccc3cccnc23)nc2ccccc21.Cl[Pt]Cl
InChIInChI=1S/C21H21N3.2ClH.Pt/c1-15(2)12-14-24-19-11-4-3-10-18(19)23-21(24)17-9-5-7-16-8-6-13-22-20(16)17;;;/h3-11,13,15H,12,14H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyMYUXPWSGRJUWBA-UHFFFAOYSA-L
MW581.40 g/mol
LogP6.67
Rot. Bonds4

About dichloroplatinum;8-[1-(3-methylbutyl)benzimidazol-2-yl]quinoline

dichloroplatinum;8-[1-(3-methylbutyl)benzimidazol-2-yl]quinoline (PubChem CID 58251814) has the molecular formula C21H21Cl2N3Pt and a molecular weight of 581.40 g/mol. Its IUPAC name is dichloroplatinum;8-[1-(3-methylbutyl)benzimidazol-2-yl]quinoline.

Molecular Properties

Compound Namedichloroplatinum;8-[1-(3-methylbutyl)benzimidazol-2-yl]quinoline
PubChem CID58251814
Molecular FormulaC21H21Cl2N3Pt
Molecular Weight581.40 g/mol
Exact Mass580.08
IUPAC Namedichloroplatinum;8-[1-(3-methylbutyl)benzimidazol-2-yl]quinoline
SMILESCC(C)CCn1c(-c2cccc3cccnc23)nc2ccccc21.Cl[Pt]Cl
InChIInChI=1S/C21H21N3.2ClH.Pt/c1-15(2)12-14-24-19-11-4-3-10-18(19)23-21(24)17-9-5-7-16-8-6-13-22-20(16)17;;;/h3-11,13,15H,12,14H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyMYUXPWSGRJUWBA-UHFFFAOYSA-L
XLogP6.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.40
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

carbanide;8-(1-propylbenzimidazol-2-yl)quinoline;trichloroplatinum
CID 58251767
dichloroplatinum;(2-quinolin-8-ylbenzimidazol-1-yl)methyl formate
CID 58251826
2-(2-quinolin-8-ylbenzimidazol-1-yl)acetic acid
CID 42634637
1-(3-methylbutyl)-2-(4-methylphenyl)benzimidazole
CID 18878798
8-(1-phenylbenzimidazol-2-yl)quinoline
CID 23527786
carbanide;1-(4-fluorophenyl)-4-(2-quinolin-8-ylbenzimidazol-1-yl)butan-1-one;trichloroplatinum
CID 58251828
difluoro-(2-quinolin-8-ylbenzimidazol-1-yl)borane
CID 132535146
2-(furan-2-yl)-1-(3-methylbutyl)benzimidazole
CID 962248
5-(dimethylamino)-N-[2-(2-quinolin-8-ylbenzimidazol-1-yl)ethyl]naphthalene-1-sulfonamide
CID 42634812
2-(2-chlorophenyl)-1-propylbenzimidazole
CID 4637054
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966506
1-[1-(3-methylbutyl)benzimidazol-2-yl]butan-1-ol
CID 17027807

Frequently Asked Questions

What is the IUPAC name of dichloroplatinum;8-[1-(3-methylbutyl)benzimidazol-2-yl]quinoline?
The IUPAC name of dichloroplatinum;8-[1-(3-methylbutyl)benzimidazol-2-yl]quinoline (CID 58251814) is dichloroplatinum;8-[1-(3-methylbutyl)benzimidazol-2-yl]quinoline.
What is the SMILES notation for dichloroplatinum;8-[1-(3-methylbutyl)benzimidazol-2-yl]quinoline?
The canonical SMILES for dichloroplatinum;8-[1-(3-methylbutyl)benzimidazol-2-yl]quinoline is CC(C)CCn1c(-c2cccc3cccnc23)nc2ccccc21.Cl[Pt]Cl.
What is the InChIKey of dichloroplatinum;8-[1-(3-methylbutyl)benzimidazol-2-yl]quinoline?
The InChIKey is MYUXPWSGRJUWBA-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H21N3.2ClH.Pt/c1-15(2)12-14-24-19-11-4-3-10-18(19)23-21(24)17-9-5-7-16-8-6-13-22-20(16)17;;;/h3-11,13,15H,12,14H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichloroplatinum;8-[1-(3-methylbutyl)benzimidazol-2-yl]quinoline?
dichloroplatinum;8-[1-(3-methylbutyl)benzimidazol-2-yl]quinoline has a molecular weight of 581.40 g/mol, XLogP of 6.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroplatinum;8-[1-(3-methylbutyl)benzimidazol-2-yl]quinoline is sourced from PubChem (CID 58251814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).