N-[(1S)-1-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

C24H25N3O3 — CID 42100853

IUPACN-[(1S)-1-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCc1cccc(OCCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)c1
InChIInChI=1S/C24H25N3O3/c1-17-8-5-9-19(16-17)29-15-7-13-27-21-11-4-3-10-20(21)26-23(27)18(2)25-24(28)22-12-6-14-30-22/h3-6,8-12,14,16,18H,7,13,15H2,1-2H3,(H,25,28)/t18-/m0/s1
InChIKeyYNSJTYLUJHDEGW-SFHVURJKSA-N
MW403.48 g/mol
LogP4.90
Rot. Bonds8

About N-[(1S)-1-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

N-[(1S)-1-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (PubChem CID 42100853) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[(1S)-1-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
PubChem CID42100853
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[(1S)-1-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCc1cccc(OCCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)c1
InChIInChI=1S/C24H25N3O3/c1-17-8-5-9-19(16-17)29-15-7-13-27-21-11-4-3-10-20(21)26-23(27)18(2)25-24(28)22-12-6-14-30-22/h3-6,8-12,14,16,18H,7,13,15H2,1-2H3,(H,25,28)/t18-/m0/s1
InChIKeyYNSJTYLUJHDEGW-SFHVURJKSA-N
XLogP4.90
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619279
N-[(1R)-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 93076028
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-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973541
N-[1-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619700
N-[(1S)-1-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100830
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619714
N-[(1R)-1-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 26820144
N-[1-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973543
N-[1-[1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973574
N-[(1S)-1-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100714

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[(1S)-1-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (CID 42100853) is N-[(1S)-1-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[(1S)-1-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is Cc1cccc(OCCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)c1.
What is the InChIKey of N-[(1S)-1-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The InChIKey is YNSJTYLUJHDEGW-SFHVURJKSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-17-8-5-9-19(16-17)29-15-7-13-27-21-11-4-3-10-20(21)26-23(27)18(2)25-24(28)22-12-6-14-30-22/h3-6,8-12,14,16,18H,7,13,15H2,1-2H3,(H,25,28)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
N-[(1S)-1-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 42100853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).