N-[4-[4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide

C26H22F2N4O3 — CID 47085731

IUPACN-[4-[4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCC(c3ncc(-c4ccc(F)c(F)c4)[nH]3)CC2)cc1)c1ccco1
InChIInChI=1S/C26H22F2N4O3/c27-20-8-5-18(14-21(20)28)22-15-29-24(31-22)16-9-11-32(12-10-16)26(34)17-3-6-19(7-4-17)30-25(33)23-2-1-13-35-23/h1-8,13-16H,9-12H2,(H,29,31)(H,30,33)
InChIKeyJRWNCJOPOKERBV-UHFFFAOYSA-N
MW476.48 g/mol
LogP5.22
Rot. Bonds5

About N-[4-[4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide

N-[4-[4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide (PubChem CID 47085731) has the molecular formula C26H22F2N4O3 and a molecular weight of 476.48 g/mol. Its IUPAC name is N-[4-[4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide
PubChem CID47085731
Molecular FormulaC26H22F2N4O3
Molecular Weight476.48 g/mol
Exact Mass476.17
IUPAC NameN-[4-[4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCC(c3ncc(-c4ccc(F)c(F)c4)[nH]3)CC2)cc1)c1ccco1
InChIInChI=1S/C26H22F2N4O3/c27-20-8-5-18(14-21(20)28)22-15-29-24(31-22)16-9-11-32(12-10-16)26(34)17-3-6-19(7-4-17)30-25(33)23-2-1-13-35-23/h1-8,13-16H,9-12H2,(H,29,31)(H,30,33)
InChIKeyJRWNCJOPOKERBV-UHFFFAOYSA-N
XLogP5.22
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.48
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide (CID 47085731) is N-[4-[4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(C(=O)N2CCC(c3ncc(-c4ccc(F)c(F)c4)[nH]3)CC2)cc1)c1ccco1.
What is the InChIKey of N-[4-[4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide?
The InChIKey is JRWNCJOPOKERBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N4O3/c27-20-8-5-18(14-21(20)28)22-15-29-24(31-22)16-9-11-32(12-10-16)26(34)17-3-6-19(7-4-17)30-25(33)23-2-1-13-35-23/h1-8,13-16H,9-12H2,(H,29,31)(H,30,33).
What are the key properties of N-[4-[4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide?
N-[4-[4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide has a molecular weight of 476.48 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 47085731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).