2-(1-methylbenzimidazol-2-yl)-1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethanone

C20H19N5O — CID 146938095

IUPAC2-(1-methylbenzimidazol-2-yl)-1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethanone
SMILESCc1ccc(-n2nnc(C(=O)Cc3nc4ccccc4n3C)c2C)cc1
InChIInChI=1S/C20H19N5O/c1-13-8-10-15(11-9-13)25-14(2)20(22-23-25)18(26)12-19-21-16-6-4-5-7-17(16)24(19)3/h4-11H,12H2,1-3H3
InChIKeyAGHXIUJKCOXCTE-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.20
Rot. Bonds4

About 2-(1-methylbenzimidazol-2-yl)-1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethanone

2-(1-methylbenzimidazol-2-yl)-1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethanone (PubChem CID 146938095) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethanone.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)-1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethanone
PubChem CID146938095
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2-(1-methylbenzimidazol-2-yl)-1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethanone
SMILESCc1ccc(-n2nnc(C(=O)Cc3nc4ccccc4n3C)c2C)cc1
InChIInChI=1S/C20H19N5O/c1-13-8-10-15(11-9-13)25-14(2)20(22-23-25)18(26)12-19-21-16-6-4-5-7-17(16)24(19)3/h4-11H,12H2,1-3H3
InChIKeyAGHXIUJKCOXCTE-UHFFFAOYSA-N
XLogP3.20
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-2-pyridinyl)ethanone
CID 79754091
1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79755499
1-(3,5-dichloro-2-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79783281
1-(1-methylbenzimidazol-2-yl)-3-(2-methylphenyl)propan-2-one
CID 79755659
2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanone
CID 82896028
2-(1-methylbenzimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 115782583
1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 116548567
1-(1-methylbenzimidazol-2-yl)-2-(4-methylphenyl)propan-2-ol
CID 79752841
1-(3-bromo-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 107957238
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-2-(4-methylphenyl)acetamide
CID 50784494
1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol
CID 79755900
1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
CID 79754011

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)-1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethanone?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethanone (CID 146938095) is 2-(1-methylbenzimidazol-2-yl)-1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethanone.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethanone?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethanone is Cc1ccc(-n2nnc(C(=O)Cc3nc4ccccc4n3C)c2C)cc1.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethanone?
The InChIKey is AGHXIUJKCOXCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-13-8-10-15(11-9-13)25-14(2)20(22-23-25)18(26)12-19-21-16-6-4-5-7-17(16)24(19)3/h4-11H,12H2,1-3H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)-1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethanone?
2-(1-methylbenzimidazol-2-yl)-1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethanone has a molecular weight of 345.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)-1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethanone is sourced from PubChem (CID 146938095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).