N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide

C26H29N3O3 — CID 16619317

IUPACN-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide
SMILESCc1ccc(OCCCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)cc1C
InChIInChI=1S/C26H29N3O3/c1-19-12-13-21(17-20(19)2)31-15-7-6-14-29-23-10-5-4-9-22(23)27-25(29)18-28(3)26(30)24-11-8-16-32-24/h4-5,8-13,16-17H,6-7,14-15,18H2,1-3H3
InChIKeyNIIIHWCSDZGKLD-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.38
Rot. Bonds9

About N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide

N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide (PubChem CID 16619317) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide
PubChem CID16619317
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide
SMILESCc1ccc(OCCCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)cc1C
InChIInChI=1S/C26H29N3O3/c1-19-12-13-21(17-20(19)2)31-15-7-6-14-29-23-10-5-4-9-22(23)27-25(29)18-28(3)26(30)24-11-8-16-32-24/h4-5,8-13,16-17H,6-7,14-15,18H2,1-3H3
InChIKeyNIIIHWCSDZGKLD-UHFFFAOYSA-N
XLogP5.38
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.38
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-methyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 53044271
N-methyl-N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619647
N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide
CID 16619351
N-[[1-[2-[4-[(2R)-butan-2-yl]phenoxy]ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide
CID 42100669
N-[[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylacetamide
CID 6494355
N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969570
2-benzyl-1-[3-(3,4-dimethylphenoxy)propyl]benzimidazole
CID 16995599
N-[5-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993436
N-[2-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16974787
N-[(1S)-1-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100714
N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide
CID 16966944
N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965643

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide (CID 16619317) is N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide is Cc1ccc(OCCCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)cc1C.
What is the InChIKey of N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide?
The InChIKey is NIIIHWCSDZGKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-19-12-13-21(17-20(19)2)31-15-7-6-14-29-23-10-5-4-9-22(23)27-25(29)18-28(3)26(30)24-11-8-16-32-24/h4-5,8-13,16-17H,6-7,14-15,18H2,1-3H3.
What are the key properties of N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide?
N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 5.38, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 16619317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).