methyl 2-(4-chlorophenyl)-4-(2-methoxyethyl)imidazo[1,2-a]benzimidazole-7-carboxylate

C20H18ClN3O3 — CID 52921524

IUPACmethyl 2-(4-chlorophenyl)-4-(2-methoxyethyl)imidazo[1,2-a]benzimidazole-7-carboxylate
SMILESCOCCn1c2ccc(C(=O)OC)cc2n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C20H18ClN3O3/c1-26-10-9-23-17-8-5-14(19(25)27-2)11-18(17)24-12-16(22-20(23)24)13-3-6-15(21)7-4-13/h3-8,11-12H,9-10H2,1-2H3
InChIKeyMFSVPYNIGQXRJX-UHFFFAOYSA-N
MW383.84 g/mol
LogP4.04
Rot. Bonds5

About methyl 2-(4-chlorophenyl)-4-(2-methoxyethyl)imidazo[1,2-a]benzimidazole-7-carboxylate

methyl 2-(4-chlorophenyl)-4-(2-methoxyethyl)imidazo[1,2-a]benzimidazole-7-carboxylate (PubChem CID 52921524) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-4-(2-methoxyethyl)imidazo[1,2-a]benzimidazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-4-(2-methoxyethyl)imidazo[1,2-a]benzimidazole-7-carboxylate
PubChem CID52921524
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Namemethyl 2-(4-chlorophenyl)-4-(2-methoxyethyl)imidazo[1,2-a]benzimidazole-7-carboxylate
SMILESCOCCn1c2ccc(C(=O)OC)cc2n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C20H18ClN3O3/c1-26-10-9-23-17-8-5-14(19(25)27-2)11-18(17)24-12-16(22-20(23)24)13-3-6-15(21)7-4-13/h3-8,11-12H,9-10H2,1-2H3
InChIKeyMFSVPYNIGQXRJX-UHFFFAOYSA-N
XLogP4.04
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)-4-(2-methoxyethyl)imidazo[1,2-a]benzimidazole-7-carboxylate?
The IUPAC name of methyl 2-(4-chlorophenyl)-4-(2-methoxyethyl)imidazo[1,2-a]benzimidazole-7-carboxylate (CID 52921524) is methyl 2-(4-chlorophenyl)-4-(2-methoxyethyl)imidazo[1,2-a]benzimidazole-7-carboxylate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-4-(2-methoxyethyl)imidazo[1,2-a]benzimidazole-7-carboxylate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-4-(2-methoxyethyl)imidazo[1,2-a]benzimidazole-7-carboxylate is COCCn1c2ccc(C(=O)OC)cc2n2cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of methyl 2-(4-chlorophenyl)-4-(2-methoxyethyl)imidazo[1,2-a]benzimidazole-7-carboxylate?
The InChIKey is MFSVPYNIGQXRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-26-10-9-23-17-8-5-14(19(25)27-2)11-18(17)24-12-16(22-20(23)24)13-3-6-15(21)7-4-13/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of methyl 2-(4-chlorophenyl)-4-(2-methoxyethyl)imidazo[1,2-a]benzimidazole-7-carboxylate?
methyl 2-(4-chlorophenyl)-4-(2-methoxyethyl)imidazo[1,2-a]benzimidazole-7-carboxylate has a molecular weight of 383.84 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophenyl)-4-(2-methoxyethyl)imidazo[1,2-a]benzimidazole-7-carboxylate is sourced from PubChem (CID 52921524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).