1-[(4-chlorophenyl)methyl]-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyridin-2-one

C20H16ClN5O — CID 58966924

IUPAC1-[(4-chlorophenyl)methyl]-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyridin-2-one
SMILESO=c1ccc(-c2ccc(Cc3nn[nH]n3)cc2)cn1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H16ClN5O/c21-18-8-3-15(4-9-18)12-26-13-17(7-10-20(26)27)16-5-1-14(2-6-16)11-19-22-24-25-23-19/h1-10,13H,11-12H2,(H,22,23,24,25)
InChIKeyPOUXJLWOGDXQDO-UHFFFAOYSA-N
MW377.84 g/mol
LogP3.32
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyridin-2-one

1-[(4-chlorophenyl)methyl]-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyridin-2-one (PubChem CID 58966924) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyridin-2-one
PubChem CID58966924
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC Name1-[(4-chlorophenyl)methyl]-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyridin-2-one
SMILESO=c1ccc(-c2ccc(Cc3nn[nH]n3)cc2)cn1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H16ClN5O/c21-18-8-3-15(4-9-18)12-26-13-17(7-10-20(26)27)16-5-1-14(2-6-16)11-19-22-24-25-23-19/h1-10,13H,11-12H2,(H,22,23,24,25)
InChIKeyPOUXJLWOGDXQDO-UHFFFAOYSA-N
XLogP3.32
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyridin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyridin-2-one (CID 58966924) is 1-[(4-chlorophenyl)methyl]-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyridin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyridin-2-one is O=c1ccc(-c2ccc(Cc3nn[nH]n3)cc2)cn1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyridin-2-one?
The InChIKey is POUXJLWOGDXQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c21-18-8-3-15(4-9-18)12-26-13-17(7-10-20(26)27)16-5-1-14(2-6-16)11-19-22-24-25-23-19/h1-10,13H,11-12H2,(H,22,23,24,25).
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyridin-2-one?
1-[(4-chlorophenyl)methyl]-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyridin-2-one has a molecular weight of 377.84 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 58966924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).