N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide

C24H20F2N4O3 — CID 55993006

IUPACN-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)C1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C24H20F2N4O3/c25-14-6-8-17(26)16(12-14)22-28-18-9-7-15(13-19(18)29-22)27-23(31)20-4-1-2-10-30(20)24(32)21-5-3-11-33-21/h3,5-9,11-13,20H,1-2,4,10H2,(H,27,31)(H,28,29)
InChIKeySCYCPNNVSCPXFG-UHFFFAOYSA-N
MW450.45 g/mol
LogP4.73
Rot. Bonds4

About N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide

N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide (PubChem CID 55993006) has the molecular formula C24H20F2N4O3 and a molecular weight of 450.45 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
PubChem CID55993006
Molecular FormulaC24H20F2N4O3
Molecular Weight450.45 g/mol
Exact Mass450.15
IUPAC NameN-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)C1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C24H20F2N4O3/c25-14-6-8-17(26)16(12-14)22-28-18-9-7-15(13-19(18)29-22)27-23(31)20-4-1-2-10-30(20)24(32)21-5-3-11-33-21/h3,5-9,11-13,20H,1-2,4,10H2,(H,27,31)(H,28,29)
InChIKeySCYCPNNVSCPXFG-UHFFFAOYSA-N
XLogP4.73
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]oxolane-2-carboxamide
CID 47066052
(2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide
CID 96526953
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24658971
(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 94809063
(2R)-N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 32821866
N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24659016
(2S)-1-(2-phenylacetyl)-N-[4-[6-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 66833562
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
CID 57405664
(2R)-N-(3-acetamidophenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51980891
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24658893
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 71902260

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide (CID 55993006) is N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide is O=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)C1CCCCN1C(=O)c1ccco1.
What is the InChIKey of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is SCYCPNNVSCPXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O3/c25-14-6-8-17(26)16(12-14)22-28-18-9-7-15(13-19(18)29-22)27-23(31)20-4-1-2-10-30(20)24(32)21-5-3-11-33-21/h3,5-9,11-13,20H,1-2,4,10H2,(H,27,31)(H,28,29).
What are the key properties of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 450.45 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 55993006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).