2-(5-formamido-7-phenylbenzimidazol-1-yl)ethyl formate

C17H15N3O3 — CID 156562744

IUPAC2-(5-formamido-7-phenylbenzimidazol-1-yl)ethyl formate
SMILESO=CNc1cc(-c2ccccc2)c2c(c1)ncn2CCOC=O
InChIInChI=1S/C17H15N3O3/c21-11-19-14-8-15(13-4-2-1-3-5-13)17-16(9-14)18-10-20(17)6-7-23-12-22/h1-5,8-12H,6-7H2,(H,19,21)
InChIKeyPDYYGNYBUAOOSW-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.44
Rot. Bonds7

About 2-(5-formamido-7-phenylbenzimidazol-1-yl)ethyl formate

2-(5-formamido-7-phenylbenzimidazol-1-yl)ethyl formate (PubChem CID 156562744) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-(5-formamido-7-phenylbenzimidazol-1-yl)ethyl formate.

Molecular Properties

Compound Name2-(5-formamido-7-phenylbenzimidazol-1-yl)ethyl formate
PubChem CID156562744
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC Name2-(5-formamido-7-phenylbenzimidazol-1-yl)ethyl formate
SMILESO=CNc1cc(-c2ccccc2)c2c(c1)ncn2CCOC=O
InChIInChI=1S/C17H15N3O3/c21-11-19-14-8-15(13-4-2-1-3-5-13)17-16(9-14)18-10-20(17)6-7-23-12-22/h1-5,8-12H,6-7H2,(H,19,21)
InChIKeyPDYYGNYBUAOOSW-UHFFFAOYSA-N
XLogP2.44
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-formamido-7-phenylbenzimidazol-1-yl)ethyl formate?
The IUPAC name of 2-(5-formamido-7-phenylbenzimidazol-1-yl)ethyl formate (CID 156562744) is 2-(5-formamido-7-phenylbenzimidazol-1-yl)ethyl formate.
What is the SMILES notation for 2-(5-formamido-7-phenylbenzimidazol-1-yl)ethyl formate?
The canonical SMILES for 2-(5-formamido-7-phenylbenzimidazol-1-yl)ethyl formate is O=CNc1cc(-c2ccccc2)c2c(c1)ncn2CCOC=O.
What is the InChIKey of 2-(5-formamido-7-phenylbenzimidazol-1-yl)ethyl formate?
The InChIKey is PDYYGNYBUAOOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-11-19-14-8-15(13-4-2-1-3-5-13)17-16(9-14)18-10-20(17)6-7-23-12-22/h1-5,8-12H,6-7H2,(H,19,21).
What are the key properties of 2-(5-formamido-7-phenylbenzimidazol-1-yl)ethyl formate?
2-(5-formamido-7-phenylbenzimidazol-1-yl)ethyl formate has a molecular weight of 309.32 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-formamido-7-phenylbenzimidazol-1-yl)ethyl formate is sourced from PubChem (CID 156562744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).