5-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]tetrazole

C15H13ClN4O — CID 23019982

IUPAC5-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]tetrazole
SMILESCOc1ccc(Cn2nnnc2-c2ccccc2Cl)cc1
InChIInChI=1S/C15H13ClN4O/c1-21-12-8-6-11(7-9-12)10-20-15(17-18-19-20)13-4-2-3-5-14(13)16/h2-9H,10H2,1H3
InChIKeyYIHHNGSZIPGMAC-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.05
Rot. Bonds4

About 5-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]tetrazole

5-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]tetrazole (PubChem CID 23019982) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]tetrazole
PubChem CID23019982
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name5-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]tetrazole
SMILESCOc1ccc(Cn2nnnc2-c2ccccc2Cl)cc1
InChIInChI=1S/C15H13ClN4O/c1-21-12-8-6-11(7-9-12)10-20-15(17-18-19-20)13-4-2-3-5-14(13)16/h2-9H,10H2,1H3
InChIKeyYIHHNGSZIPGMAC-UHFFFAOYSA-N
XLogP3.05
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-bromofuran-2-yl)-1-[(4-methoxyphenyl)methyl]tetrazole
CID 23020046
5-[4-(difluoromethyl)phenyl]-1-[(4-methoxyphenyl)methyl]tetrazole
CID 154721135
4-benzyl-3-(2-chlorophenyl)-5-[2-(4-methoxyphenyl)ethylsulfanyl]-1,2,4-triazole
CID 18207771
5-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-1H-indole
CID 155934782
3-bromo-5-chloro-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 118257220
1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid
CID 12752372
2-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]indazole
CID 56968343
1-benzyl-5-[2-[4-[(2-butyl-4-chloro-5-methoxyimidazol-1-yl)methyl]phenyl]phenyl]tetrazole;ethane
CID 160540081
2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine
CID 112518555
2-[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]aniline
CID 61354425
3-(1-benzyltetrazol-5-yl)-2-methylaniline
CID 61353888
1-[(S)-(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 51685587

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]tetrazole?
The IUPAC name of 5-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]tetrazole (CID 23019982) is 5-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]tetrazole.
What is the SMILES notation for 5-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]tetrazole?
The canonical SMILES for 5-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]tetrazole is COc1ccc(Cn2nnnc2-c2ccccc2Cl)cc1.
What is the InChIKey of 5-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]tetrazole?
The InChIKey is YIHHNGSZIPGMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-21-12-8-6-11(7-9-12)10-20-15(17-18-19-20)13-4-2-3-5-14(13)16/h2-9H,10H2,1H3.
What are the key properties of 5-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]tetrazole?
5-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]tetrazole has a molecular weight of 300.75 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]tetrazole is sourced from PubChem (CID 23019982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).