1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone

C19H14FN3O2 — CID 36566276

IUPAC1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)N2CCn3c2nc2ccccc23)oc2c(F)cccc12
InChIInChI=1S/C19H14FN3O2/c1-11-12-5-4-6-13(20)17(12)25-16(11)18(24)23-10-9-22-15-8-3-2-7-14(15)21-19(22)23/h2-8H,9-10H2,1H3
InChIKeyLYPFENNHRCMZAP-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.89
Rot. Bonds1

About 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone

1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 36566276) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone
PubChem CID36566276
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)N2CCn3c2nc2ccccc23)oc2c(F)cccc12
InChIInChI=1S/C19H14FN3O2/c1-11-12-5-4-6-13(20)17(12)25-16(11)18(24)23-10-9-22-15-8-3-2-7-14(15)21-19(22)23/h2-8H,9-10H2,1H3
InChIKeyLYPFENNHRCMZAP-UHFFFAOYSA-N
XLogP3.89
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-yl)-1-benzofuran-2-carboxamide
CID 2583514
2-(1-Benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]-1H-benzimidazole
CID 25208249
2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-yl(4-methoxyphenyl)methanone
CID 775902
2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-yl(4-ethoxyphenyl)methanone
CID 1086697
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 1108446
N-{1-[2-(3-methylphenoxy)ethyl]-1H-benzimidazol-2-yl}-2-furamide
CID 1292700
N-(1H-benzimidazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 2117785
5-(2-bromoprop-2-enoylamino)-N-[6-([1,2,4]thiadiazolo[4,5-a]benzimidazol-1-ylamino)hexyl]-1-benzofuran-2-carboxamide
CID 44440187
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 155567243
7-fluoro-N,3-dimethyl-N-(1-pyrimidin-4-ylethyl)-1-benzofuran-2-carboxamide
CID 24790531
1-(2-furoyl)-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole
CID 775878
N-{3-[1-(2-fluorobenzyl)-1H-benzimidazol-2-yl]propyl}furan-2-carboxamide
CID 3164559

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone (CID 36566276) is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone is Cc1c(C(=O)N2CCn3c2nc2ccccc23)oc2c(F)cccc12.
What is the InChIKey of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is LYPFENNHRCMZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2/c1-11-12-5-4-6-13(20)17(12)25-16(11)18(24)23-10-9-22-15-8-3-2-7-14(15)21-19(22)23/h2-8H,9-10H2,1H3.
What are the key properties of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 335.34 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 36566276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).