N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide

C23H23N3O4 — CID 16619351

IUPACN-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide
SMILESCOc1ccccc1OCCn1c(CN(C)C(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C23H23N3O4/c1-25(23(27)21-12-7-14-29-21)16-22-24-17-8-3-4-9-18(17)26(22)13-15-30-20-11-6-5-10-19(20)28-2/h3-12,14H,13,15-16H2,1-2H3
InChIKeyOYOUWFDTZPWBGL-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.99
Rot. Bonds8

About N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide

N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide (PubChem CID 16619351) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide
PubChem CID16619351
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide
SMILESCOc1ccccc1OCCn1c(CN(C)C(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C23H23N3O4/c1-25(23(27)21-12-7-14-29-21)16-22-24-17-8-3-4-9-18(17)26(22)13-15-30-20-11-6-5-10-19(20)28-2/h3-12,14H,13,15-16H2,1-2H3
InChIKeyOYOUWFDTZPWBGL-UHFFFAOYSA-N
XLogP3.99
TPSA69.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-[4-[(2R)-butan-2-yl]phenoxy]ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide
CID 42100669
N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide
CID 16619317
N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994673
N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16973914
N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975480
N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966877
N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975478
N-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 16974874
3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 16995480
N-[[1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylacetamide
CID 18885701

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide (CID 16619351) is N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide is COc1ccccc1OCCn1c(CN(C)C(=O)c2ccco2)nc2ccccc21.
What is the InChIKey of N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide?
The InChIKey is OYOUWFDTZPWBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-25(23(27)21-12-7-14-29-21)16-22-24-17-8-3-4-9-18(17)26(22)13-15-30-20-11-6-5-10-19(20)28-2/h3-12,14H,13,15-16H2,1-2H3.
What are the key properties of N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide?
N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 16619351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).