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

C23H23N3O3 — CID 16619647

IUPACN-methyl-N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
SMILESCc1ccc(OCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)cc1
InChIInChI=1S/C23H23N3O3/c1-17-9-11-18(12-10-17)28-15-13-26-20-7-4-3-6-19(20)24-22(26)16-25(2)23(27)21-8-5-14-29-21/h3-12,14H,13,15-16H2,1-2H3
InChIKeyOJNSMASSFIPCFY-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.29
Rot. Bonds7

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

N-methyl-N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide (PubChem CID 16619647) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-methyl-N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
PubChem CID16619647
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-methyl-N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
SMILESCc1ccc(OCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)cc1
InChIInChI=1S/C23H23N3O3/c1-17-9-11-18(12-10-17)28-15-13-26-20-7-4-3-6-19(20)24-22(26)16-25(2)23(27)21-8-5-14-29-21/h3-12,14H,13,15-16H2,1-2H3
InChIKeyOJNSMASSFIPCFY-UHFFFAOYSA-N
XLogP4.29
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide
CID 16619351
N-methyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 53044271
N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965753
N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]propanamide
CID 17006087
2-ethyl-N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974759
N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylacetamide
CID 23609980
N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide
CID 16966944
N-[[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965752
N-[[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965757
2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole
CID 18879081

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-methyl-N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide (CID 16619647) is N-methyl-N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide is Cc1ccc(OCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)cc1.
What is the InChIKey of N-methyl-N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?
The InChIKey is OJNSMASSFIPCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-17-9-11-18(12-10-17)28-15-13-26-20-7-4-3-6-19(20)24-22(26)16-25(2)23(27)21-8-5-14-29-21/h3-12,14H,13,15-16H2,1-2H3.
What are the key properties of N-methyl-N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?
N-methyl-N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 16619647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).