3-pyrimidin-2-yl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide

C18H13N7O — CID 56851704

IUPAC3-pyrimidin-2-yl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc(-c2ncccn2)c1
InChIInChI=1S/C18H13N7O/c26-18(14-6-1-4-12(10-14)16-19-8-3-9-20-16)21-15-7-2-5-13(11-15)17-22-24-25-23-17/h1-11H,(H,21,26)(H,22,23,24,25)
InChIKeyWMPLYYWUNLVUAC-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.58
Rot. Bonds4

About 3-pyrimidin-2-yl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide

3-pyrimidin-2-yl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide (PubChem CID 56851704) has the molecular formula C18H13N7O and a molecular weight of 343.35 g/mol. Its IUPAC name is 3-pyrimidin-2-yl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-pyrimidin-2-yl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
PubChem CID56851704
Molecular FormulaC18H13N7O
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name3-pyrimidin-2-yl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc(-c2ncccn2)c1
InChIInChI=1S/C18H13N7O/c26-18(14-6-1-4-12(10-14)16-19-8-3-9-20-16)21-15-7-2-5-13(11-15)17-22-24-25-23-17/h1-11H,(H,21,26)(H,22,23,24,25)
InChIKeyWMPLYYWUNLVUAC-UHFFFAOYSA-N
XLogP2.58
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-2-yl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The IUPAC name of 3-pyrimidin-2-yl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide (CID 56851704) is 3-pyrimidin-2-yl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 3-pyrimidin-2-yl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 3-pyrimidin-2-yl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide is O=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc(-c2ncccn2)c1.
What is the InChIKey of 3-pyrimidin-2-yl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The InChIKey is WMPLYYWUNLVUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N7O/c26-18(14-6-1-4-12(10-14)16-19-8-3-9-20-16)21-15-7-2-5-13(11-15)17-22-24-25-23-17/h1-11H,(H,21,26)(H,22,23,24,25).
What are the key properties of 3-pyrimidin-2-yl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
3-pyrimidin-2-yl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide has a molecular weight of 343.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-2-yl-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 56851704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).