3-[1-[(2,5-dichlorophenyl)methyl]-5-(2H-tetrazol-5-yl)imidazol-2-yl]pyridine

C16H11Cl2N7 — CID 118416865

IUPAC3-[1-[(2,5-dichlorophenyl)methyl]-5-(2H-tetrazol-5-yl)imidazol-2-yl]pyridine
SMILESClc1ccc(Cl)c(Cn2c(-c3nn[nH]n3)cnc2-c2cccnc2)c1
InChIInChI=1S/C16H11Cl2N7/c17-12-3-4-13(18)11(6-12)9-25-14(15-21-23-24-22-15)8-20-16(25)10-2-1-5-19-7-10/h1-8H,9H2,(H,21,22,23,24)
InChIKeyFUEZDKHXJJZARZ-UHFFFAOYSA-N
MW372.22 g/mol
LogP3.48
Rot. Bonds4

About 3-[1-[(2,5-dichlorophenyl)methyl]-5-(2H-tetrazol-5-yl)imidazol-2-yl]pyridine

3-[1-[(2,5-dichlorophenyl)methyl]-5-(2H-tetrazol-5-yl)imidazol-2-yl]pyridine (PubChem CID 118416865) has the molecular formula C16H11Cl2N7 and a molecular weight of 372.22 g/mol. Its IUPAC name is 3-[1-[(2,5-dichlorophenyl)methyl]-5-(2H-tetrazol-5-yl)imidazol-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-[(2,5-dichlorophenyl)methyl]-5-(2H-tetrazol-5-yl)imidazol-2-yl]pyridine
PubChem CID118416865
Molecular FormulaC16H11Cl2N7
Molecular Weight372.22 g/mol
Exact Mass371.05
IUPAC Name3-[1-[(2,5-dichlorophenyl)methyl]-5-(2H-tetrazol-5-yl)imidazol-2-yl]pyridine
SMILESClc1ccc(Cl)c(Cn2c(-c3nn[nH]n3)cnc2-c2cccnc2)c1
InChIInChI=1S/C16H11Cl2N7/c17-12-3-4-13(18)11(6-12)9-25-14(15-21-23-24-22-15)8-20-16(25)10-2-1-5-19-7-10/h1-8H,9H2,(H,21,22,23,24)
InChIKeyFUEZDKHXJJZARZ-UHFFFAOYSA-N
XLogP3.48
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,5-dichlorophenyl)methyl]-5-(2H-tetrazol-5-yl)imidazol-2-yl]pyridine?
The IUPAC name of 3-[1-[(2,5-dichlorophenyl)methyl]-5-(2H-tetrazol-5-yl)imidazol-2-yl]pyridine (CID 118416865) is 3-[1-[(2,5-dichlorophenyl)methyl]-5-(2H-tetrazol-5-yl)imidazol-2-yl]pyridine.
What is the SMILES notation for 3-[1-[(2,5-dichlorophenyl)methyl]-5-(2H-tetrazol-5-yl)imidazol-2-yl]pyridine?
The canonical SMILES for 3-[1-[(2,5-dichlorophenyl)methyl]-5-(2H-tetrazol-5-yl)imidazol-2-yl]pyridine is Clc1ccc(Cl)c(Cn2c(-c3nn[nH]n3)cnc2-c2cccnc2)c1.
What is the InChIKey of 3-[1-[(2,5-dichlorophenyl)methyl]-5-(2H-tetrazol-5-yl)imidazol-2-yl]pyridine?
The InChIKey is FUEZDKHXJJZARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N7/c17-12-3-4-13(18)11(6-12)9-25-14(15-21-23-24-22-15)8-20-16(25)10-2-1-5-19-7-10/h1-8H,9H2,(H,21,22,23,24).
What are the key properties of 3-[1-[(2,5-dichlorophenyl)methyl]-5-(2H-tetrazol-5-yl)imidazol-2-yl]pyridine?
3-[1-[(2,5-dichlorophenyl)methyl]-5-(2H-tetrazol-5-yl)imidazol-2-yl]pyridine has a molecular weight of 372.22 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,5-dichlorophenyl)methyl]-5-(2H-tetrazol-5-yl)imidazol-2-yl]pyridine is sourced from PubChem (CID 118416865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).