methyl 4-[(4-fluorophenyl)methyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate

C19H16FN3O2 — CID 164621525

IUPACmethyl 4-[(4-fluorophenyl)methyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate
SMILESCOC(=O)c1c(C)nc2n(Cc3ccc(F)cc3)c3ccccc3n12
InChIInChI=1S/C19H16FN3O2/c1-12-17(18(24)25-2)23-16-6-4-3-5-15(16)22(19(23)21-12)11-13-7-9-14(20)10-8-13/h3-10H,11H2,1-2H3
InChIKeyUSYIPQRONBSQLQ-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.57
Rot. Bonds3

About methyl 4-[(4-fluorophenyl)methyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate

methyl 4-[(4-fluorophenyl)methyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate (PubChem CID 164621525) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is methyl 4-[(4-fluorophenyl)methyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-fluorophenyl)methyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate
PubChem CID164621525
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Namemethyl 4-[(4-fluorophenyl)methyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate
SMILESCOC(=O)c1c(C)nc2n(Cc3ccc(F)cc3)c3ccccc3n12
InChIInChI=1S/C19H16FN3O2/c1-12-17(18(24)25-2)23-16-6-4-3-5-15(16)22(19(23)21-12)11-13-7-9-14(20)10-8-13/h3-10H,11H2,1-2H3
InChIKeyUSYIPQRONBSQLQ-UHFFFAOYSA-N
XLogP3.57
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-(4-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 53465602
Methyl 2-methyl-9-propyl-9H-imidazo[1,2-A][1,3]benzimidazole-3-carboxylate
CID 761903
Methyl 2,9-dimethyl-9H-benzo[d]imidazo[1,2-a]imidazole-3-carboxylate
CID 799344
Methyl 4-[2-(azepan-1-yl)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate
CID 164615425
methyl 2-methyl-9-[2-(1-piperidinyl)ethyl]-9H-imidazo[1,2-a]benzimidazole-3-carboxylate
CID 799352
9H-Imidazo(1,2-a)benzimidazole-3-carboxylic acid, 9-(2-(diethylamino)ethyl)-2-methyl-, methyl ester, dihydrochloride
CID 218994
9H-Imidazo(1,2-a)benzimidazole-3-carboxylic acid, 9-methyl-2-((methyltricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)methyl)-, methyl ester, dihydrochloride
CID 2839364
9H-Imidazo(1,2-a)benzimidazole-3-carboxylic acid, 9-methyl-2-((methyltricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)methyl)-, ethyl ester, dihydrobromide
CID 3088770
9H-Imidazo(1,2-a)benzimidazole-3-carboxylic acid, 9-butyl-2-((methyltricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)methyl)-, methyl ester, dihydrochloride
CID 3088772
ethyl 9-[2-(diethylamino)ethyl]-2-methyl-9H-imidazo[1,2-a]benzimidazole-3-carboxylate
CID 767408
1-(9-benzyl-2-methyl-9H-imidazo[1,2-a]benzimidazol-3-yl)ethanone
CID 771758
methyl 2-methyl-9-[2-(morpholin-4-yl)ethyl]-9H-imidazo[1,2-a]benzimidazole-3-carboxylate
CID 4313268

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-fluorophenyl)methyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate?
The IUPAC name of methyl 4-[(4-fluorophenyl)methyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate (CID 164621525) is methyl 4-[(4-fluorophenyl)methyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate.
What is the SMILES notation for methyl 4-[(4-fluorophenyl)methyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate?
The canonical SMILES for methyl 4-[(4-fluorophenyl)methyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate is COC(=O)c1c(C)nc2n(Cc3ccc(F)cc3)c3ccccc3n12.
What is the InChIKey of methyl 4-[(4-fluorophenyl)methyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate?
The InChIKey is USYIPQRONBSQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-12-17(18(24)25-2)23-16-6-4-3-5-15(16)22(19(23)21-12)11-13-7-9-14(20)10-8-13/h3-10H,11H2,1-2H3.
What are the key properties of methyl 4-[(4-fluorophenyl)methyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate?
methyl 4-[(4-fluorophenyl)methyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate has a molecular weight of 337.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-fluorophenyl)methyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate is sourced from PubChem (CID 164621525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).