2-(triazol-1-yl)ethyl 2-phenyl-1H-imidazole-5-carboxylate

C14H13N5O2 — CID 166337310

IUPAC2-(triazol-1-yl)ethyl 2-phenyl-1H-imidazole-5-carboxylate
SMILESO=C(OCCn1ccnn1)c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C14H13N5O2/c20-14(21-9-8-19-7-6-16-18-19)12-10-15-13(17-12)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,15,17)
InChIKeyDZMNBCMXFCUOKY-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.53
Rot. Bonds5

About 2-(triazol-1-yl)ethyl 2-phenyl-1H-imidazole-5-carboxylate

2-(triazol-1-yl)ethyl 2-phenyl-1H-imidazole-5-carboxylate (PubChem CID 166337310) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-(triazol-1-yl)ethyl 2-phenyl-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Name2-(triazol-1-yl)ethyl 2-phenyl-1H-imidazole-5-carboxylate
PubChem CID166337310
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name2-(triazol-1-yl)ethyl 2-phenyl-1H-imidazole-5-carboxylate
SMILESO=C(OCCn1ccnn1)c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C14H13N5O2/c20-14(21-9-8-19-7-6-16-18-19)12-10-15-13(17-12)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,15,17)
InChIKeyDZMNBCMXFCUOKY-UHFFFAOYSA-N
XLogP1.53
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(triazol-1-yl)ethyl 2-phenyl-1H-imidazole-5-carboxylate?
The IUPAC name of 2-(triazol-1-yl)ethyl 2-phenyl-1H-imidazole-5-carboxylate (CID 166337310) is 2-(triazol-1-yl)ethyl 2-phenyl-1H-imidazole-5-carboxylate.
What is the SMILES notation for 2-(triazol-1-yl)ethyl 2-phenyl-1H-imidazole-5-carboxylate?
The canonical SMILES for 2-(triazol-1-yl)ethyl 2-phenyl-1H-imidazole-5-carboxylate is O=C(OCCn1ccnn1)c1cnc(-c2ccccc2)[nH]1.
What is the InChIKey of 2-(triazol-1-yl)ethyl 2-phenyl-1H-imidazole-5-carboxylate?
The InChIKey is DZMNBCMXFCUOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c20-14(21-9-8-19-7-6-16-18-19)12-10-15-13(17-12)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,15,17).
What are the key properties of 2-(triazol-1-yl)ethyl 2-phenyl-1H-imidazole-5-carboxylate?
2-(triazol-1-yl)ethyl 2-phenyl-1H-imidazole-5-carboxylate has a molecular weight of 283.29 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triazol-1-yl)ethyl 2-phenyl-1H-imidazole-5-carboxylate is sourced from PubChem (CID 166337310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).