N-methyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]furan-2-carboxamide

C25H27N3O3 — CID 53044271

IUPACN-methyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
SMILESCc1ccccc1OCCCCn1c(CN(C)C(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C25H27N3O3/c1-19-10-3-6-13-22(19)30-16-8-7-15-28-21-12-5-4-11-20(21)26-24(28)18-27(2)25(29)23-14-9-17-31-23/h3-6,9-14,17H,7-8,15-16,18H2,1-2H3
InChIKeyHFGMETSFQCRKJI-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.07
Rot. Bonds9

About N-methyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]furan-2-carboxamide

N-methyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]furan-2-carboxamide (PubChem CID 53044271) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-methyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
PubChem CID53044271
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-methyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
SMILESCc1ccccc1OCCCCn1c(CN(C)C(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C25H27N3O3/c1-19-10-3-6-13-22(19)30-16-8-7-15-28-21-12-5-4-11-20(21)26-24(28)18-27(2)25(29)23-14-9-17-31-23/h3-6,9-14,17H,7-8,15-16,18H2,1-2H3
InChIKeyHFGMETSFQCRKJI-UHFFFAOYSA-N
XLogP5.07
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide
CID 16619317
N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide
CID 16619351
N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975510
N-methyl-N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619647
N-methyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965763
N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 4754686
N-[[1-[2-[4-[(2R)-butan-2-yl]phenoxy]ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide
CID 42100669
N-[(1S)-1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100788
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide
CID 60597306
2-ethyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]butanamide
CID 17006449
N-[5-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994722
N-[3-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 16981992

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-methyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]furan-2-carboxamide (CID 53044271) is N-methyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]furan-2-carboxamide is Cc1ccccc1OCCCCn1c(CN(C)C(=O)c2ccco2)nc2ccccc21.
What is the InChIKey of N-methyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?
The InChIKey is HFGMETSFQCRKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-19-10-3-6-13-22(19)30-16-8-7-15-28-21-12-5-4-11-20(21)26-24(28)18-27(2)25(29)23-14-9-17-31-23/h3-6,9-14,17H,7-8,15-16,18H2,1-2H3.
What are the key properties of N-methyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?
N-methyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]furan-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 5.07, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 53044271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).