N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide

C25H27N3O3 — CID 16994651

IUPACN-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
SMILESCOc1ccc(Cn2c(CCCCCNC(=O)c3ccco3)nc3ccccc32)cc1
InChIInChI=1S/C25H27N3O3/c1-30-20-14-12-19(13-15-20)18-28-22-9-5-4-8-21(22)27-24(28)11-3-2-6-16-26-25(29)23-10-7-17-31-23/h4-5,7-10,12-15,17H,2-3,6,11,16,18H2,1H3,(H,26,29)
InChIKeyKGRPXQYCBCGKDD-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.83
Rot. Bonds10

About N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide

N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide (PubChem CID 16994651) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
PubChem CID16994651
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
SMILESCOc1ccc(Cn2c(CCCCCNC(=O)c3ccco3)nc3ccccc32)cc1
InChIInChI=1S/C25H27N3O3/c1-30-20-14-12-19(13-15-20)18-28-22-9-5-4-8-21(22)27-24(28)11-3-2-6-16-26-25(29)23-10-7-17-31-23/h4-5,7-10,12-15,17H,2-3,6,11,16,18H2,1H3,(H,26,29)
InChIKeyKGRPXQYCBCGKDD-UHFFFAOYSA-N
XLogP4.83
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 4754691
N-[3-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 4754655
N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-(4-phenylphenyl)acetamide
CID 16994327
N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994673
methyl 2-[2-[3-(furan-2-carbonylamino)propyl]benzimidazol-1-yl]acetate
CID 16982030
N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994618
N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994710
N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975472
N-[3-(1-nonylbenzimidazol-2-yl)propyl]furan-2-carboxamide
CID 16981934
N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994750
4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984748
N-[5-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide
CID 16993993

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide?
The IUPAC name of N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide (CID 16994651) is N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide is COc1ccc(Cn2c(CCCCCNC(=O)c3ccco3)nc3ccccc32)cc1.
What is the InChIKey of N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide?
The InChIKey is KGRPXQYCBCGKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-30-20-14-12-19(13-15-20)18-28-22-9-5-4-8-21(22)27-24(28)11-3-2-6-16-26-25(29)23-10-7-17-31-23/h4-5,7-10,12-15,17H,2-3,6,11,16,18H2,1H3,(H,26,29).
What are the key properties of N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide?
N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.83, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide is sourced from PubChem (CID 16994651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).