1-[(4-methoxyphenyl)methyl]imidazole-2-carbonitrile;5-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2H-tetrazole

C24H23N9O2 — CID 157459150

IUPAC1-[(4-methoxyphenyl)methyl]imidazole-2-carbonitrile;5-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2H-tetrazole
SMILESCOc1ccc(Cn2ccnc2-c2nn[nH]n2)cc1.COc1ccc(Cn2ccnc2C#N)cc1
InChIInChI=1S/C12H12N6O.C12H11N3O/c1-19-10-4-2-9(3-5-10)8-18-7-6-13-12(18)11-14-16-17-15-11;1-16-11-4-2-10(3-5-11)9-15-7-6-14-12(15)8-13/h2-7H,8H2,1H3,(H,14,15,16,17);2-7H,9H2,1H3
InChIKeyBTSIOOYJNWXIGX-UHFFFAOYSA-N
MW469.51 g/mol
LogP2.93
Rot. Bonds7

About 1-[(4-methoxyphenyl)methyl]imidazole-2-carbonitrile;5-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2H-tetrazole

1-[(4-methoxyphenyl)methyl]imidazole-2-carbonitrile;5-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2H-tetrazole (PubChem CID 157459150) has the molecular formula C24H23N9O2 and a molecular weight of 469.51 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]imidazole-2-carbonitrile;5-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2H-tetrazole.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]imidazole-2-carbonitrile;5-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2H-tetrazole
PubChem CID157459150
Molecular FormulaC24H23N9O2
Molecular Weight469.51 g/mol
Exact Mass469.20
IUPAC Name1-[(4-methoxyphenyl)methyl]imidazole-2-carbonitrile;5-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2H-tetrazole
SMILESCOc1ccc(Cn2ccnc2-c2nn[nH]n2)cc1.COc1ccc(Cn2ccnc2C#N)cc1
InChIInChI=1S/C12H12N6O.C12H11N3O/c1-19-10-4-2-9(3-5-10)8-18-7-6-13-12(18)11-14-16-17-15-11;1-16-11-4-2-10(3-5-11)9-15-7-6-14-12(15)8-13/h2-7H,8H2,1H3,(H,14,15,16,17);2-7H,9H2,1H3
InChIKeyBTSIOOYJNWXIGX-UHFFFAOYSA-N
XLogP2.93
TPSA132.35 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-(2,3-difluoro-4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]imidazole
CID 56863534
4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]quinoline
CID 50981223
methyl 4-[(2-cyanoimidazol-1-yl)methyl]-2-fluorobenzoate
CID 113347419
5-[3-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole
CID 86282902
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CID 153398267
2-[[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]methyl]benzonitrile
CID 82561426
2-ethyl-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]butan-1-amine
CID 68594273
1-[(4-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)indole
CID 59122734
[4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82557940
2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate
CID 139073564
2-[4-[(2-cyanoimidazol-1-yl)methyl]phenyl]propanehydrazide
CID 105352289
3-chloro-2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonitrile
CID 107056731

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]imidazole-2-carbonitrile;5-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2H-tetrazole?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]imidazole-2-carbonitrile;5-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2H-tetrazole (CID 157459150) is 1-[(4-methoxyphenyl)methyl]imidazole-2-carbonitrile;5-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2H-tetrazole.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]imidazole-2-carbonitrile;5-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2H-tetrazole?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]imidazole-2-carbonitrile;5-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2H-tetrazole is COc1ccc(Cn2ccnc2-c2nn[nH]n2)cc1.COc1ccc(Cn2ccnc2C#N)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]imidazole-2-carbonitrile;5-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2H-tetrazole?
The InChIKey is BTSIOOYJNWXIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O.C12H11N3O/c1-19-10-4-2-9(3-5-10)8-18-7-6-13-12(18)11-14-16-17-15-11;1-16-11-4-2-10(3-5-11)9-15-7-6-14-12(15)8-13/h2-7H,8H2,1H3,(H,14,15,16,17);2-7H,9H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]imidazole-2-carbonitrile;5-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2H-tetrazole?
1-[(4-methoxyphenyl)methyl]imidazole-2-carbonitrile;5-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2H-tetrazole has a molecular weight of 469.51 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]imidazole-2-carbonitrile;5-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2H-tetrazole is sourced from PubChem (CID 157459150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).