methyl 2-(1-phenylimidazo[1,2-a]benzimidazol-4-yl)acetate

C18H15N3O2 — CID 10040753

IUPACmethyl 2-(1-phenylimidazo[1,2-a]benzimidazol-4-yl)acetate
SMILESCOC(=O)Cn1c2ccccc2n2c(-c3ccccc3)cnc12
InChIInChI=1S/C18H15N3O2/c1-23-17(22)12-20-14-9-5-6-10-15(14)21-16(11-19-18(20)21)13-7-3-2-4-8-13/h2-11H,12H2,1H3
InChIKeyTVPRCLFYCGTBAC-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.13
Rot. Bonds3

About methyl 2-(1-phenylimidazo[1,2-a]benzimidazol-4-yl)acetate

methyl 2-(1-phenylimidazo[1,2-a]benzimidazol-4-yl)acetate (PubChem CID 10040753) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is methyl 2-(1-phenylimidazo[1,2-a]benzimidazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-phenylimidazo[1,2-a]benzimidazol-4-yl)acetate
PubChem CID10040753
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Namemethyl 2-(1-phenylimidazo[1,2-a]benzimidazol-4-yl)acetate
SMILESCOC(=O)Cn1c2ccccc2n2c(-c3ccccc3)cnc12
InChIInChI=1S/C18H15N3O2/c1-23-17(22)12-20-14-9-5-6-10-15(14)21-16(11-19-18(20)21)13-7-3-2-4-8-13/h2-11H,12H2,1H3
InChIKeyTVPRCLFYCGTBAC-UHFFFAOYSA-N
XLogP3.13
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-phenylimidazo[1,2-a]benzimidazol-4-yl)acetate?
The IUPAC name of methyl 2-(1-phenylimidazo[1,2-a]benzimidazol-4-yl)acetate (CID 10040753) is methyl 2-(1-phenylimidazo[1,2-a]benzimidazol-4-yl)acetate.
What is the SMILES notation for methyl 2-(1-phenylimidazo[1,2-a]benzimidazol-4-yl)acetate?
The canonical SMILES for methyl 2-(1-phenylimidazo[1,2-a]benzimidazol-4-yl)acetate is COC(=O)Cn1c2ccccc2n2c(-c3ccccc3)cnc12.
What is the InChIKey of methyl 2-(1-phenylimidazo[1,2-a]benzimidazol-4-yl)acetate?
The InChIKey is TVPRCLFYCGTBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-23-17(22)12-20-14-9-5-6-10-15(14)21-16(11-19-18(20)21)13-7-3-2-4-8-13/h2-11H,12H2,1H3.
What are the key properties of methyl 2-(1-phenylimidazo[1,2-a]benzimidazol-4-yl)acetate?
methyl 2-(1-phenylimidazo[1,2-a]benzimidazol-4-yl)acetate has a molecular weight of 305.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-phenylimidazo[1,2-a]benzimidazol-4-yl)acetate is sourced from PubChem (CID 10040753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).