N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide

C23H18FN3O3 — CID 55901898

IUPACN-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)oc2c1C(=O)CCC2
InChIInChI=1S/C23H18FN3O3/c1-12-20-18(28)6-3-7-19(20)30-21(12)23(29)25-15-8-9-16-17(11-15)27-22(26-16)13-4-2-5-14(24)10-13/h2,4-5,8-11H,3,6-7H2,1H3,(H,25,29)(H,26,27)
InChIKeyCNBHADQHIXRMDV-UHFFFAOYSA-N
MW403.41 g/mol
LogP5.04
Rot. Bonds3

About N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide

N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide (PubChem CID 55901898) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
PubChem CID55901898
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC NameN-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)oc2c1C(=O)CCC2
InChIInChI=1S/C23H18FN3O3/c1-12-20-18(28)6-3-7-19(20)30-21(12)23(29)25-15-8-9-16-17(11-15)27-22(26-16)13-4-2-5-14(24)10-13/h2,4-5,8-11H,3,6-7H2,1H3,(H,25,29)(H,26,27)
InChIKeyCNBHADQHIXRMDV-UHFFFAOYSA-N
XLogP5.04
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.41
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60534337
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide
CID 60534062
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]benzamide
CID 52662842
2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
CID 56561489
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55863776
3-methyl-4-oxo-N-(1H-pyrazol-4-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 60506878
3-fluoro-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)benzamide
CID 56762590
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 55901767
2-[[3-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]phenyl]methylsulfanyl]acetic acid
CID 119240889
methyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate
CID 56737080
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 95348764
N-[(1R)-1-(3-benzamidophenyl)ethyl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 51956516

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide (CID 55901898) is N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)oc2c1C(=O)CCC2.
What is the InChIKey of N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The InChIKey is CNBHADQHIXRMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c1-12-20-18(28)6-3-7-19(20)30-21(12)23(29)25-15-8-9-16-17(11-15)27-22(26-16)13-4-2-5-14(24)10-13/h2,4-5,8-11H,3,6-7H2,1H3,(H,25,29)(H,26,27).
What are the key properties of N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide has a molecular weight of 403.41 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55901898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).