N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide

C24H25FN4O3 — CID 86881077

IUPACN-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
SMILESCc1c(C(C)NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)oc2ccc(F)cc12
InChIInChI=1S/C24H25FN4O3/c1-14-18-13-16(25)7-8-21(18)32-22(14)15(2)26-23(30)28-11-9-17(10-12-28)29-20-6-4-3-5-19(20)27-24(29)31/h3-8,13,15,17H,9-12H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyUDVGOUBYOGRYBM-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.63
Rot. Bonds3

About N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide

N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide (PubChem CID 86881077) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
PubChem CID86881077
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC NameN-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
SMILESCc1c(C(C)NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)oc2ccc(F)cc12
InChIInChI=1S/C24H25FN4O3/c1-14-18-13-16(25)7-8-21(18)32-22(14)15(2)26-23(30)28-11-9-17(10-12-28)29-20-6-4-3-5-19(20)27-24(29)31/h3-8,13,15,17H,9-12H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyUDVGOUBYOGRYBM-UHFFFAOYSA-N
XLogP4.63
TPSA83.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]azetidine-1-carboxamide
CID 95333207
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 112806255
N-(2-methylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 20605984
N-(2-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 24735703
3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735719
3-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 46407972
3-[1-[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 94526549
3-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 119696098
3-[1-[5-fluoro-2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 44757507
N-(cyclopentylmethyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 172967857
3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 21471689
N-(4-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 3835544

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide (CID 86881077) is N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide is Cc1c(C(C)NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)oc2ccc(F)cc12.
What is the InChIKey of N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The InChIKey is UDVGOUBYOGRYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-14-18-13-16(25)7-8-21(18)32-22(14)15(2)26-23(30)28-11-9-17(10-12-28)29-20-6-4-3-5-19(20)27-24(29)31/h3-8,13,15,17H,9-12H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 86881077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).