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

C17H19N3O3 — CID 16619750

IUPACN-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCOCCn1c(C(C)NC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C17H19N3O3/c1-12(18-17(21)15-8-5-10-23-15)16-19-13-6-3-4-7-14(13)20(16)9-11-22-2/h3-8,10,12H,9,11H2,1-2H3,(H,18,21)
InChIKeyKSIKBUAEKUFRHQ-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.77
Rot. Bonds6

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

N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide (PubChem CID 16619750) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
PubChem CID16619750
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCOCCn1c(C(C)NC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C17H19N3O3/c1-12(18-17(21)15-8-5-10-23-15)16-19-13-6-3-4-7-14(13)20(16)9-11-22-2/h3-8,10,12H,9,11H2,1-2H3,(H,18,21)
InChIKeyKSIKBUAEKUFRHQ-UHFFFAOYSA-N
XLogP2.77
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619700
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
CID 25345224
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]furan-2-carboxamide
CID 16619714
N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619685
N-[(1S)-1-(1-hexylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
CID 7082664
N-[(1R)-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 93076028
N-[(1S)-1-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100714
N-[(1S)-1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100788
N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973541
N-[1-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16620623

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide (CID 16619750) is N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide is COCCn1c(C(C)NC(=O)c2ccco2)nc2ccccc21.
What is the InChIKey of N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The InChIKey is KSIKBUAEKUFRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12(18-17(21)15-8-5-10-23-15)16-19-13-6-3-4-7-14(13)20(16)9-11-22-2/h3-8,10,12H,9,11H2,1-2H3,(H,18,21).
What are the key properties of N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide?
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 16619750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).