2-[5-[5-methyl-2-(3-methylphenyl)-1,2,4-triazol-3-yl]benzimidazol-1-yl]ethanol

C19H19N5O — CID 50958161

IUPAC2-[5-[5-methyl-2-(3-methylphenyl)-1,2,4-triazol-3-yl]benzimidazol-1-yl]ethanol
SMILESCc1cccc(-n2nc(C)nc2-c2ccc3c(c2)ncn3CCO)c1
InChIInChI=1S/C19H19N5O/c1-13-4-3-5-16(10-13)24-19(21-14(2)22-24)15-6-7-18-17(11-15)20-12-23(18)8-9-25/h3-7,10-12,25H,8-9H2,1-2H3
InChIKeyYBKUDHFPCUBAPP-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.89
Rot. Bonds4

About 2-[5-[5-methyl-2-(3-methylphenyl)-1,2,4-triazol-3-yl]benzimidazol-1-yl]ethanol

2-[5-[5-methyl-2-(3-methylphenyl)-1,2,4-triazol-3-yl]benzimidazol-1-yl]ethanol (PubChem CID 50958161) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-[5-[5-methyl-2-(3-methylphenyl)-1,2,4-triazol-3-yl]benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[5-methyl-2-(3-methylphenyl)-1,2,4-triazol-3-yl]benzimidazol-1-yl]ethanol
PubChem CID50958161
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name2-[5-[5-methyl-2-(3-methylphenyl)-1,2,4-triazol-3-yl]benzimidazol-1-yl]ethanol
SMILESCc1cccc(-n2nc(C)nc2-c2ccc3c(c2)ncn3CCO)c1
InChIInChI=1S/C19H19N5O/c1-13-4-3-5-16(10-13)24-19(21-14(2)22-24)15-6-7-18-17(11-15)20-12-23(18)8-9-25/h3-7,10-12,25H,8-9H2,1-2H3
InChIKeyYBKUDHFPCUBAPP-UHFFFAOYSA-N
XLogP2.89
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-tert-butylbenzimidazol-1-yl)ethanol
CID 176701659
2-[5-[1-(3-methylphenyl)imidazol-2-yl]-4-phenylimidazol-1-yl]ethanol
CID 50971250
2-[5-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol
CID 70708364
3-(5-methylbenzimidazol-1-yl)propanenitrile
CID 45078513
1-(2-methoxyethyl)-5-phenylbenzimidazole
CID 141375296
3-methyl-1-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole
CID 140582477
3-(2-hydroxyethyl)-7-methylquinazolin-4-one
CID 117264165
1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole
CID 130289066
5-(1,2-dimethylbenzimidazol-5-yl)-1-(3-methylphenyl)pyrazole-3-carbonitrile
CID 82220295
[5-(4-methoxyphenyl)-1-(3-methylphenyl)triazol-4-yl]methanol
CID 56769366
2-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 82150810
2-[5-[2-(3-ethylimidazol-4-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol
CID 138386691

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-methyl-2-(3-methylphenyl)-1,2,4-triazol-3-yl]benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[5-[5-methyl-2-(3-methylphenyl)-1,2,4-triazol-3-yl]benzimidazol-1-yl]ethanol (CID 50958161) is 2-[5-[5-methyl-2-(3-methylphenyl)-1,2,4-triazol-3-yl]benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[5-methyl-2-(3-methylphenyl)-1,2,4-triazol-3-yl]benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[5-methyl-2-(3-methylphenyl)-1,2,4-triazol-3-yl]benzimidazol-1-yl]ethanol is Cc1cccc(-n2nc(C)nc2-c2ccc3c(c2)ncn3CCO)c1.
What is the InChIKey of 2-[5-[5-methyl-2-(3-methylphenyl)-1,2,4-triazol-3-yl]benzimidazol-1-yl]ethanol?
The InChIKey is YBKUDHFPCUBAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-13-4-3-5-16(10-13)24-19(21-14(2)22-24)15-6-7-18-17(11-15)20-12-23(18)8-9-25/h3-7,10-12,25H,8-9H2,1-2H3.
What are the key properties of 2-[5-[5-methyl-2-(3-methylphenyl)-1,2,4-triazol-3-yl]benzimidazol-1-yl]ethanol?
2-[5-[5-methyl-2-(3-methylphenyl)-1,2,4-triazol-3-yl]benzimidazol-1-yl]ethanol has a molecular weight of 333.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-methyl-2-(3-methylphenyl)-1,2,4-triazol-3-yl]benzimidazol-1-yl]ethanol is sourced from PubChem (CID 50958161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).