1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-3-carboxamide

C27H28FN5O2 — CID 44580430

IUPAC1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CCCOc2ccc(-n3c(-c4ccccn4)nc4cc(F)ccc43)cc2)C1
InChIInChI=1S/C27H28FN5O2/c28-20-7-12-25-24(17-20)31-27(23-6-1-2-13-30-23)33(25)21-8-10-22(11-9-21)35-16-4-15-32-14-3-5-19(18-32)26(29)34/h1-2,6-13,17,19H,3-5,14-16,18H2,(H2,29,34)
InChIKeyWIVNJJUIRLDNAK-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.19
Rot. Bonds8

About 1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-3-carboxamide

1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-3-carboxamide (PubChem CID 44580430) has the molecular formula C27H28FN5O2 and a molecular weight of 473.55 g/mol. Its IUPAC name is 1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-3-carboxamide
PubChem CID44580430
Molecular FormulaC27H28FN5O2
Molecular Weight473.55 g/mol
Exact Mass473.22
IUPAC Name1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CCCOc2ccc(-n3c(-c4ccccn4)nc4cc(F)ccc43)cc2)C1
InChIInChI=1S/C27H28FN5O2/c28-20-7-12-25-24(17-20)31-27(23-6-1-2-13-30-23)33(25)21-8-10-22(11-9-21)35-16-4-15-32-14-3-5-19(18-32)26(29)34/h1-2,6-13,17,19H,3-5,14-16,18H2,(H2,29,34)
InChIKeyWIVNJJUIRLDNAK-UHFFFAOYSA-N
XLogP4.19
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-2-oxo-1-(pyridin-3-yl)-1,2-dihydropyridine-3-carboxamide
CID 21081772
N-[4-[2-[2-fluoro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxypyridin-2-yl]acetamide
CID 11476663
5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-2-(pyridin-2-yl)-1H-benzo[d]imidazole
CID 11532065
N-[4-[1-methyl-2-[3-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridin-2-yl]acetamide
CID 57568471
N-[4-[1-methyl-2-[4-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridin-2-yl]acetamide
CID 57568562
1-(4-Fluorophenyl)-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 16012671
1-{6-[4-(6-fluoro-1H-benzoimidazol-2-yl)-phenoxy]-pyridin-3-yl}-1,7,9-triaza-spiro[4.5]decane-6,8,10-trione
CID 44444582
[1-[3-[4-[(1-Methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol
CID 71452430
[1-[4-[4-(1H-benzimidazol-2-ylamino)phenoxy]-3-pyridinyl]piperidin-4-yl]methanol
CID 71457746
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-methyl-2-oxo-1-phenyl-3H-pyridin-1-ium-3-carboxamide;hydrochloride
CID 127041352
N-[3-[2-[4-(3-morpholin-4-ylpropoxy)anilino]purin-9-yl]phenyl]prop-2-enamide
CID 134137307
4-[4-[3-(Dimethylamino)propoxy]anilino]-9-(2,6-dimethylphenyl)-1,3,5,9,11-pentazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,10,12,14,16-heptaen-8-one
CID 11214762

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-3-carboxamide?
The IUPAC name of 1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-3-carboxamide (CID 44580430) is 1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-3-carboxamide is NC(=O)C1CCCN(CCCOc2ccc(-n3c(-c4ccccn4)nc4cc(F)ccc43)cc2)C1.
What is the InChIKey of 1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-3-carboxamide?
The InChIKey is WIVNJJUIRLDNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O2/c28-20-7-12-25-24(17-20)31-27(23-6-1-2-13-30-23)33(25)21-8-10-22(11-9-21)35-16-4-15-32-14-3-5-19(18-32)26(29)34/h1-2,6-13,17,19H,3-5,14-16,18H2,(H2,29,34).
What are the key properties of 1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-3-carboxamide?
1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-3-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-3-carboxamide is sourced from PubChem (CID 44580430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).