5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide

C25H26ClFN4O3 — CID 19452881

IUPAC5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide
SMILESCCN(CC)CCn1c(NC(=O)c2ccc(COc3ccc(F)cc3Cl)o2)nc2ccccc21
InChIInChI=1S/C25H26ClFN4O3/c1-3-30(4-2)13-14-31-21-8-6-5-7-20(21)28-25(31)29-24(32)23-12-10-18(34-23)16-33-22-11-9-17(27)15-19(22)26/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,28,29,32)
InChIKeyGIDYSFGEAPSWAK-UHFFFAOYSA-N
MW484.96 g/mol
LogP5.59
Rot. Bonds10

About 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide

5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide (PubChem CID 19452881) has the molecular formula C25H26ClFN4O3 and a molecular weight of 484.96 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide
PubChem CID19452881
Molecular FormulaC25H26ClFN4O3
Molecular Weight484.96 g/mol
Exact Mass484.17
IUPAC Name5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide
SMILESCCN(CC)CCn1c(NC(=O)c2ccc(COc3ccc(F)cc3Cl)o2)nc2ccccc21
InChIInChI=1S/C25H26ClFN4O3/c1-3-30(4-2)13-14-31-21-8-6-5-7-20(21)28-25(31)29-24(32)23-12-10-18(34-23)16-33-22-11-9-17(27)15-19(22)26/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,28,29,32)
InChIKeyGIDYSFGEAPSWAK-UHFFFAOYSA-N
XLogP5.59
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.96
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-tert-butylphenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide
CID 19450746
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2,5-difluorobenzamide
CID 30178740
5-[(4-chloro-3-cyano-5-methylpyrazol-1-yl)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide
CID 118717690
5-[(2-methoxyphenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)furan-2-carboxamide
CID 19467514
N-(1-methylbenzimidazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415493
2-[(4-chlorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]pyrazole-3-carboxamide
CID 19507320
N-(1-methylbenzimidazol-2-yl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412863
N-(1-benzyl-1,2,4-triazol-3-yl)-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19453022
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 19475551
5-[(4-chloro-3-methylphenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)furan-2-carboxamide
CID 5151114
4-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 19336639
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide
CID 19411905

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide?
The IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide (CID 19452881) is 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide is CCN(CC)CCn1c(NC(=O)c2ccc(COc3ccc(F)cc3Cl)o2)nc2ccccc21.
What is the InChIKey of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide?
The InChIKey is GIDYSFGEAPSWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN4O3/c1-3-30(4-2)13-14-31-21-8-6-5-7-20(21)28-25(31)29-24(32)23-12-10-18(34-23)16-33-22-11-9-17(27)15-19(22)26/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,28,29,32).
What are the key properties of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide?
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide has a molecular weight of 484.96 g/mol, XLogP of 5.59, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 19452881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).