N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

C21H17ClFN3O2 — CID 3164527

IUPACN-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1ccco1
InChIInChI=1S/C21H17ClFN3O2/c22-15-5-3-6-16(23)14(15)13-26-18-8-2-1-7-17(18)25-20(26)10-11-24-21(27)19-9-4-12-28-19/h1-9,12H,10-11,13H2,(H,24,27)
InChIKeyVAJQMWQDFSBSHD-UHFFFAOYSA-N
MW397.84 g/mol
LogP4.44
Rot. Bonds6

About N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (PubChem CID 3164527) has the molecular formula C21H17ClFN3O2 and a molecular weight of 397.84 g/mol. Its IUPAC name is N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
PubChem CID3164527
Molecular FormulaC21H17ClFN3O2
Molecular Weight397.84 g/mol
Exact Mass397.10
IUPAC NameN-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1ccco1
InChIInChI=1S/C21H17ClFN3O2/c22-15-5-3-6-16(23)14(15)13-26-18-8-2-1-7-17(18)25-20(26)10-11-24-21(27)19-9-4-12-28-19/h1-9,12H,10-11,13H2,(H,24,27)
InChIKeyVAJQMWQDFSBSHD-UHFFFAOYSA-N
XLogP4.44
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976055
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16976532
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16979580
N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993346
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide
CID 16983008
N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16986020
N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
CID 17007754
N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975472
2-chloro-N-[2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976056
N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-4-fluorobenzamide
CID 16991726
N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988648
N-[3-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 4754655

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (CID 3164527) is N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is O=C(NCCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1ccco1.
What is the InChIKey of N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The InChIKey is VAJQMWQDFSBSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O2/c22-15-5-3-6-16(23)14(15)13-26-18-8-2-1-7-17(18)25-20(26)10-11-24-21(27)19-9-4-12-28-19/h1-9,12H,10-11,13H2,(H,24,27).
What are the key properties of N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide has a molecular weight of 397.84 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 3164527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).