N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]furan-2-carboxamide

C19H23N3O2 — CID 25345224

IUPACN-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
SMILESCCCCCn1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C19H23N3O2/c1-3-4-7-12-22-16-10-6-5-9-15(16)21-18(22)14(2)20-19(23)17-11-8-13-24-17/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3,(H,20,23)/t14-/m1/s1
InChIKeySVKAOORHTBPJNA-CQSZACIVSA-N
MW325.41 g/mol
LogP4.31
Rot. Bonds7

About N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]furan-2-carboxamide

N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]furan-2-carboxamide (PubChem CID 25345224) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
PubChem CID25345224
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
SMILESCCCCCn1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C19H23N3O2/c1-3-4-7-12-22-16-10-6-5-9-15(16)21-18(22)14(2)20-19(23)17-11-8-13-24-17/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3,(H,20,23)/t14-/m1/s1
InChIKeySVKAOORHTBPJNA-CQSZACIVSA-N
XLogP4.31
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(1-hexylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
CID 7082664
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-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619700
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-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619279
N-[(1S)-1-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100853
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
CID 7023918
N-[1-[1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973574
N-[(1S)-1-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100830

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]furan-2-carboxamide (CID 25345224) is N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]furan-2-carboxamide is CCCCCn1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21.
What is the InChIKey of N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]furan-2-carboxamide?
The InChIKey is SVKAOORHTBPJNA-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-4-7-12-22-16-10-6-5-9-15(16)21-18(22)14(2)20-19(23)17-11-8-13-24-17/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3,(H,20,23)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]furan-2-carboxamide?
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]furan-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 25345224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).