N-[3-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide

C25H29FN4O2 — CID 17031356

IUPACN-[3-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
SMILESO=C(Cn1c(CCCNC(=O)C2CCCCC2)nc2ccccc21)Nc1cccc(F)c1
InChIInChI=1S/C25H29FN4O2/c26-19-10-6-11-20(16-19)28-24(31)17-30-22-13-5-4-12-21(22)29-23(30)14-7-15-27-25(32)18-8-2-1-3-9-18/h4-6,10-13,16,18H,1-3,7-9,14-15,17H2,(H,27,32)(H,28,31)
InChIKeyAZUZQIMQRNNTNX-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.44
Rot. Bonds8

About N-[3-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide

N-[3-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide (PubChem CID 17031356) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[3-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
PubChem CID17031356
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC NameN-[3-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
SMILESO=C(Cn1c(CCCNC(=O)C2CCCCC2)nc2ccccc21)Nc1cccc(F)c1
InChIInChI=1S/C25H29FN4O2/c26-19-10-6-11-20(16-19)28-24(31)17-30-22-13-5-4-12-21(22)29-23(30)14-7-15-27-25(32)18-8-2-1-3-9-18/h4-6,10-13,16,18H,1-3,7-9,14-15,17H2,(H,27,32)(H,28,31)
InChIKeyAZUZQIMQRNNTNX-UHFFFAOYSA-N
XLogP4.44
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 17031374
N-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 17031298
N-[3-[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 17031362
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981590
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 17029167
N-[3-(1-prop-2-ynylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 16981538
N-[2-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17030281
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981751
propan-2-yl 2-[2-[3-(cyclohexanecarbonylamino)propyl]benzimidazol-1-yl]acetate
CID 16981598
methyl 2-[2-[5-(cyclohexanecarbonylamino)pentyl]benzimidazol-1-yl]acetate
CID 16989094
N-[3-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 17031290
N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 18888908

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide (CID 17031356) is N-[3-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide is O=C(Cn1c(CCCNC(=O)C2CCCCC2)nc2ccccc21)Nc1cccc(F)c1.
What is the InChIKey of N-[3-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide?
The InChIKey is AZUZQIMQRNNTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2/c26-19-10-6-11-20(16-19)28-24(31)17-30-22-13-5-4-12-21(22)29-23(30)14-7-15-27-25(32)18-8-2-1-3-9-18/h4-6,10-13,16,18H,1-3,7-9,14-15,17H2,(H,27,32)(H,28,31).
What are the key properties of N-[3-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide?
N-[3-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide has a molecular weight of 436.53 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide is sourced from PubChem (CID 17031356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).