5-(2,3-dichlorophenyl)-1-[(2-phenylmethoxyphenyl)methyl]tetrazole

C21H16Cl2N4O — CID 23019879

IUPAC5-(2,3-dichlorophenyl)-1-[(2-phenylmethoxyphenyl)methyl]tetrazole
SMILESClc1cccc(-c2nnnn2Cc2ccccc2OCc2ccccc2)c1Cl
InChIInChI=1S/C21H16Cl2N4O/c22-18-11-6-10-17(20(18)23)21-24-25-26-27(21)13-16-9-4-5-12-19(16)28-14-15-7-2-1-3-8-15/h1-12H,13-14H2
InChIKeyAYGITOWQXDKVLX-UHFFFAOYSA-N
MW411.29 g/mol
LogP5.27
Rot. Bonds6

About 5-(2,3-dichlorophenyl)-1-[(2-phenylmethoxyphenyl)methyl]tetrazole

5-(2,3-dichlorophenyl)-1-[(2-phenylmethoxyphenyl)methyl]tetrazole (PubChem CID 23019879) has the molecular formula C21H16Cl2N4O and a molecular weight of 411.29 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-1-[(2-phenylmethoxyphenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-1-[(2-phenylmethoxyphenyl)methyl]tetrazole
PubChem CID23019879
Molecular FormulaC21H16Cl2N4O
Molecular Weight411.29 g/mol
Exact Mass410.07
IUPAC Name5-(2,3-dichlorophenyl)-1-[(2-phenylmethoxyphenyl)methyl]tetrazole
SMILESClc1cccc(-c2nnnn2Cc2ccccc2OCc2ccccc2)c1Cl
InChIInChI=1S/C21H16Cl2N4O/c22-18-11-6-10-17(20(18)23)21-24-25-26-27(21)13-16-9-4-5-12-19(16)28-14-15-7-2-1-3-8-15/h1-12H,13-14H2
InChIKeyAYGITOWQXDKVLX-UHFFFAOYSA-N
XLogP5.27
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.29
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(2,3-dichlorophenyl)-1-[(2-phenylmethoxyphenyl)methyl]tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-5-(2,3-dichlorophenyl)tetrazole
CID 23020048
4-[2-[2-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]phenoxy]ethyl]morpholine
CID 23019978
2-[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]aniline
CID 61354425
3-[1-[(2-bromophenyl)methyl]tetrazol-5-yl]-2-chloroaniline
CID 115936227
3-[2-[5-(2,3-dichlorophenyl)tetrazol-1-yl]ethyl]pyridine;hydrochloride
CID 11602876
1-benzyl-5-(2,3-difluorophenyl)tetrazole
CID 11543614
4-[5-(2,3-dichlorophenyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 80541594
5-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]tetrazole
CID 9421897
3-[4-chloro-2-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]phenyl]-1-methylazepane;hydrochloride
CID 23019946
3-(2,3-dichlorophenyl)-4-[(2,3-dichlorophenyl)methyl]-1,2,4-triazole
CID 16678288
1-[(2-phenylmethoxyphenyl)methyl]imidazole
CID 12903383
2-[[4-[2-(1-benzyltetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dichloro-1H-pyridazine-3,6-dione
CID 139613711

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-1-[(2-phenylmethoxyphenyl)methyl]tetrazole?
The IUPAC name of 5-(2,3-dichlorophenyl)-1-[(2-phenylmethoxyphenyl)methyl]tetrazole (CID 23019879) is 5-(2,3-dichlorophenyl)-1-[(2-phenylmethoxyphenyl)methyl]tetrazole.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-1-[(2-phenylmethoxyphenyl)methyl]tetrazole?
The canonical SMILES for 5-(2,3-dichlorophenyl)-1-[(2-phenylmethoxyphenyl)methyl]tetrazole is Clc1cccc(-c2nnnn2Cc2ccccc2OCc2ccccc2)c1Cl.
What is the InChIKey of 5-(2,3-dichlorophenyl)-1-[(2-phenylmethoxyphenyl)methyl]tetrazole?
The InChIKey is AYGITOWQXDKVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4O/c22-18-11-6-10-17(20(18)23)21-24-25-26-27(21)13-16-9-4-5-12-19(16)28-14-15-7-2-1-3-8-15/h1-12H,13-14H2.
What are the key properties of 5-(2,3-dichlorophenyl)-1-[(2-phenylmethoxyphenyl)methyl]tetrazole?
5-(2,3-dichlorophenyl)-1-[(2-phenylmethoxyphenyl)methyl]tetrazole has a molecular weight of 411.29 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-1-[(2-phenylmethoxyphenyl)methyl]tetrazole is sourced from PubChem (CID 23019879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).