[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 1H-imidazole-5-carboxylate

C18H14N6O2 — CID 67424085

IUPAC[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 1H-imidazole-5-carboxylate
SMILESO=C(OCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1cnc[nH]1
InChIInChI=1S/C18H14N6O2/c25-18(16-9-19-11-20-16)26-10-12-5-7-13(8-6-12)14-3-1-2-4-15(14)17-21-23-24-22-17/h1-9,11H,10H2,(H,19,20)(H,21,22,23,24)
InChIKeyBOTXISANJJIDIT-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.61
Rot. Bonds5

About [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 1H-imidazole-5-carboxylate

[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 1H-imidazole-5-carboxylate (PubChem CID 67424085) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 1H-imidazole-5-carboxylate.

Molecular Properties

Compound Name[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 1H-imidazole-5-carboxylate
PubChem CID67424085
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 1H-imidazole-5-carboxylate
SMILESO=C(OCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1cnc[nH]1
InChIInChI=1S/C18H14N6O2/c25-18(16-9-19-11-20-16)26-10-12-5-7-13(8-6-12)14-3-1-2-4-15(14)17-21-23-24-22-17/h1-9,11H,10H2,(H,19,20)(H,21,22,23,24)
InChIKeyBOTXISANJJIDIT-UHFFFAOYSA-N
XLogP2.61
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate
CID 70051804
benzyl (2S)-2-[butanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-methylbutanoate
CID 125382367
methyl 2-(methoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 174350917
pyridin-4-ylmethyl 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
CID 14962932
ethyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidine-5-carboxylate
CID 15658053
2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylic acid
CID 14950487
tert-butyl 2-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoate
CID 141085923
methyl 6-methyl-2-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylate
CID 14950504
[4-(nitrooxymethyl)phenyl]methyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
CID 11307973
(2S)-3-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoic acid
CID 10315945
ethyl 4-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-methylpyrimidine-5-carboxylate
CID 10254184
[4-(nitrosoperoxymethyl)phenyl]methyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
CID 58769090

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 1H-imidazole-5-carboxylate?
The IUPAC name of [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 1H-imidazole-5-carboxylate (CID 67424085) is [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 1H-imidazole-5-carboxylate.
What is the SMILES notation for [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 1H-imidazole-5-carboxylate?
The canonical SMILES for [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 1H-imidazole-5-carboxylate is O=C(OCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1cnc[nH]1.
What is the InChIKey of [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 1H-imidazole-5-carboxylate?
The InChIKey is BOTXISANJJIDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2/c25-18(16-9-19-11-20-16)26-10-12-5-7-13(8-6-12)14-3-1-2-4-15(14)17-21-23-24-22-17/h1-9,11H,10H2,(H,19,20)(H,21,22,23,24).
What are the key properties of [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 1H-imidazole-5-carboxylate?
[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 1H-imidazole-5-carboxylate has a molecular weight of 346.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 1H-imidazole-5-carboxylate is sourced from PubChem (CID 67424085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).