N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

C23H23N3O4 — CID 16619714

IUPACN-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCOc1cccc(OCCn2c(C(C)NC(=O)c3ccco3)nc3ccccc32)c1
InChIInChI=1S/C23H23N3O4/c1-16(24-23(27)21-11-6-13-30-21)22-25-19-9-3-4-10-20(19)26(22)12-14-29-18-8-5-7-17(15-18)28-2/h3-11,13,15-16H,12,14H2,1-2H3,(H,24,27)
InChIKeyWHBPDXQGOXPEII-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.21
Rot. Bonds8

About N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (PubChem CID 16619714) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
PubChem CID16619714
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCOc1cccc(OCCn2c(C(C)NC(=O)c3ccco3)nc3ccccc32)c1
InChIInChI=1S/C23H23N3O4/c1-16(24-23(27)21-11-6-13-30-21)22-25-19-9-3-4-10-20(19)26(22)12-14-29-18-8-5-7-17(15-18)28-2/h3-11,13,15-16H,12,14H2,1-2H3,(H,24,27)
InChIKeyWHBPDXQGOXPEII-UHFFFAOYSA-N
XLogP4.21
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973541
N-[(1R)-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 93076028
N-[1-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619700
N-[(1S)-1-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100714
N-[(1S)-1-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100853
N-[1-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619279
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619750
N-[(1S)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100825
N-[(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100824
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969373
N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619685
4-methoxy-N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009703

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (CID 16619714) is N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is COc1cccc(OCCn2c(C(C)NC(=O)c3ccco3)nc3ccccc32)c1.
What is the InChIKey of N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The InChIKey is WHBPDXQGOXPEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-16(24-23(27)21-11-6-13-30-21)22-25-19-9-3-4-10-20(19)26(22)12-14-29-18-8-5-7-17(15-18)28-2/h3-11,13,15-16H,12,14H2,1-2H3,(H,24,27).
What are the key properties of N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 16619714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).