2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]phenol;platinum

C29H26N3OPt- — CID 140832061

IUPAC2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]phenol;platinum
SMILESCn1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4ccccn4)cc(C(C)(C)C)c3)cccc21.[Pt]
InChIInChI=1S/C29H26N3O.Pt/c1-29(2,3)21-17-19(16-20(18-21)24-12-7-8-15-30-24)22-11-9-13-25-27(22)31-28(32(25)4)23-10-5-6-14-26(23)33;/h5-15,17-18,33H,1-4H3;/q-1;
InChIKeyQYOLRCKPUYLFAR-UHFFFAOYSA-N
MW627.63 g/mol
LogP6.77
Rot. Bonds3

About 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]phenol;platinum

2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]phenol;platinum (PubChem CID 140832061) has the molecular formula C29H26N3OPt- and a molecular weight of 627.63 g/mol. Its IUPAC name is 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]phenol;platinum
PubChem CID140832061
Molecular FormulaC29H26N3OPt-
Molecular Weight627.63 g/mol
Exact Mass627.17
IUPAC Name2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]phenol;platinum
SMILESCn1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4ccccn4)cc(C(C)(C)C)c3)cccc21.[Pt]
InChIInChI=1S/C29H26N3O.Pt/c1-29(2,3)21-17-19(16-20(18-21)24-12-7-8-15-30-24)22-11-9-13-25-27(22)31-28(32(25)4)23-10-5-6-14-26(23)33;/h5-15,17-18,33H,1-4H3;/q-1;
InChIKeyQYOLRCKPUYLFAR-UHFFFAOYSA-N
XLogP6.77
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.63
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]phenol;platinum with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 163795638
2-{7-Methyl-3-[(4-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl}phenol
CID 3489129
2-allyl-6-{(E)-[(2-phenylimidazo[1,2-a]pyridin-8-yl)imino]methyl}phenol
CID 5179799
4-[4-[(2-Phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]phenol
CID 9292383
2-{6-Methyl-3-[(2-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl}phenol
CID 15989666
2-Methyl-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168274980
2-Fluoro-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168275450
2,6-Dimethyl-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168280997
4-[2-Methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168281720
2-Hydroxy-5-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]benzonitrile
CID 168282182
3-Fluoro-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168295195
2,6-Dimethyl-4-(3-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)phenol
CID 117769677

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]phenol;platinum?
The IUPAC name of 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]phenol;platinum (CID 140832061) is 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]phenol;platinum is Cn1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4ccccn4)cc(C(C)(C)C)c3)cccc21.[Pt].
What is the InChIKey of 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]phenol;platinum?
The InChIKey is QYOLRCKPUYLFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N3O.Pt/c1-29(2,3)21-17-19(16-20(18-21)24-12-7-8-15-30-24)22-11-9-13-25-27(22)31-28(32(25)4)23-10-5-6-14-26(23)33;/h5-15,17-18,33H,1-4H3;/q-1;.
What are the key properties of 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]phenol;platinum?
2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]phenol;platinum has a molecular weight of 627.63 g/mol, XLogP of 6.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 140832061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).