1-(2,5-dimethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone

C18H18N4O — CID 7465605

IUPAC1-(2,5-dimethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
SMILESCc1ccc(-c2nnn(CC(=O)c3cc(C)ccc3C)n2)cc1
InChIInChI=1S/C18H18N4O/c1-12-5-8-15(9-6-12)18-19-21-22(20-18)11-17(23)16-10-13(2)4-7-14(16)3/h4-10H,11H2,1-3H3
InChIKeyKODXJKUFXGBUDM-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.15
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone

1-(2,5-dimethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone (PubChem CID 7465605) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
PubChem CID7465605
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name1-(2,5-dimethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
SMILESCc1ccc(-c2nnn(CC(=O)c3cc(C)ccc3C)n2)cc1
InChIInChI=1S/C18H18N4O/c1-12-5-8-15(9-6-12)18-19-21-22(20-18)11-17(23)16-10-13(2)4-7-14(16)3/h4-10H,11H2,1-3H3
InChIKeyKODXJKUFXGBUDM-UHFFFAOYSA-N
XLogP3.15
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-methylphenyl)tetrazol-2-yl]-1-(2,4,5-trimethylphenyl)ethanone
CID 7712989
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
CID 701825
2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-(2,4-dimethylphenyl)ethanone
CID 7490677
1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 7713086
2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 16517930
ethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate
CID 7713038
2-[2-methoxyethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetic acid
CID 119348011
1-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone
CID 7262853
N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 24541975
5-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one
CID 9484477
N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 166719133
N-(1-aminopropan-2-yl)-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 119584047

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone (CID 7465605) is 1-(2,5-dimethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone is Cc1ccc(-c2nnn(CC(=O)c3cc(C)ccc3C)n2)cc1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone?
The InChIKey is KODXJKUFXGBUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12-5-8-15(9-6-12)18-19-21-22(20-18)11-17(23)16-10-13(2)4-7-14(16)3/h4-10H,11H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone?
1-(2,5-dimethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone has a molecular weight of 306.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 7465605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).