2-[6-(2-adamantyl)-1-methylbenzimidazol-2-yl]phenol;cobalt

C24H26CoN2O — CID 135979167

IUPAC2-[6-(2-adamantyl)-1-methylbenzimidazol-2-yl]phenol;cobalt
SMILESCn1c(-c2ccccc2O)nc2ccc(C3C4CC5CC(C4)CC3C5)cc21.[Co]
InChIInChI=1S/C24H26N2O.Co/c1-26-21-13-16(23-17-9-14-8-15(11-17)12-18(23)10-14)6-7-20(21)25-24(26)19-4-2-3-5-22(19)27;/h2-7,13-15,17-18,23,27H,8-12H2,1H3;
InChIKeyQTMBQSFTVCLRPY-UHFFFAOYSA-N
MW417.42 g/mol
LogP5.48
Rot. Bonds2

About 2-[6-(2-adamantyl)-1-methylbenzimidazol-2-yl]phenol;cobalt

2-[6-(2-adamantyl)-1-methylbenzimidazol-2-yl]phenol;cobalt (PubChem CID 135979167) has the molecular formula C24H26CoN2O and a molecular weight of 417.42 g/mol. Its IUPAC name is 2-[6-(2-adamantyl)-1-methylbenzimidazol-2-yl]phenol;cobalt.

Molecular Properties

Compound Name2-[6-(2-adamantyl)-1-methylbenzimidazol-2-yl]phenol;cobalt
PubChem CID135979167
Molecular FormulaC24H26CoN2O
Molecular Weight417.42 g/mol
Exact Mass417.14
IUPAC Name2-[6-(2-adamantyl)-1-methylbenzimidazol-2-yl]phenol;cobalt
SMILESCn1c(-c2ccccc2O)nc2ccc(C3C4CC5CC(C4)CC3C5)cc21.[Co]
InChIInChI=1S/C24H26N2O.Co/c1-26-21-13-16(23-17-9-14-8-15(11-17)12-18(23)10-14)6-7-20(21)25-24(26)19-4-2-3-5-22(19)27;/h2-7,13-15,17-18,23,27H,8-12H2,1H3;
InChIKeyQTMBQSFTVCLRPY-UHFFFAOYSA-N
XLogP5.48
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.42
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[6-(2-adamantyl)-1-methylbenzimidazol-2-yl]phenol;cobalt 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

2-(6-chloro-1-methylbenzimidazol-2-yl)phenol
CID 137002817
2-(1-methylbenzimidazol-2-yl)phenol
CID 139198195
2-[1-methyl-6-[(4-methyl-1-phenylpiperidin-4-yl)methyl]benzimidazol-2-yl]phenol
CID 140585275
2-[[2-(1-methylbenzimidazol-2-yl)phenyl]iminomethyl]phenol
CID 139199114
2-chloro-6-(6-chloro-1-methylbenzimidazol-2-yl)aniline
CID 107050019
2-[[2-(1-methylbenzimidazol-2-yl)phenyl]iminomethyl]phenol;dihydrate
CID 139199113
3-(5-methoxy-1-methylbenzimidazol-2-yl)benzene-1,2-diol
CID 136928305
2-(2-bromophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712321
2-amino-5-(1-methylbenzimidazol-2-yl)phenol
CID 60835038
4-bromo-3-(1-methylbenzimidazol-2-yl)aniline
CID 113281116
2-(5-fluoro-1-methylbenzimidazol-2-yl)aniline
CID 60783742
N'-hydroxy-2-(2-hydroxy-3-phenylphenyl)-3-methylbenzimidazole-5-carboximidamide
CID 135450810

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-adamantyl)-1-methylbenzimidazol-2-yl]phenol;cobalt?
The IUPAC name of 2-[6-(2-adamantyl)-1-methylbenzimidazol-2-yl]phenol;cobalt (CID 135979167) is 2-[6-(2-adamantyl)-1-methylbenzimidazol-2-yl]phenol;cobalt.
What is the SMILES notation for 2-[6-(2-adamantyl)-1-methylbenzimidazol-2-yl]phenol;cobalt?
The canonical SMILES for 2-[6-(2-adamantyl)-1-methylbenzimidazol-2-yl]phenol;cobalt is Cn1c(-c2ccccc2O)nc2ccc(C3C4CC5CC(C4)CC3C5)cc21.[Co].
What is the InChIKey of 2-[6-(2-adamantyl)-1-methylbenzimidazol-2-yl]phenol;cobalt?
The InChIKey is QTMBQSFTVCLRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O.Co/c1-26-21-13-16(23-17-9-14-8-15(11-17)12-18(23)10-14)6-7-20(21)25-24(26)19-4-2-3-5-22(19)27;/h2-7,13-15,17-18,23,27H,8-12H2,1H3;.
What are the key properties of 2-[6-(2-adamantyl)-1-methylbenzimidazol-2-yl]phenol;cobalt?
2-[6-(2-adamantyl)-1-methylbenzimidazol-2-yl]phenol;cobalt has a molecular weight of 417.42 g/mol, XLogP of 5.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-adamantyl)-1-methylbenzimidazol-2-yl]phenol;cobalt is sourced from PubChem (CID 135979167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).