N-[4-(benzimidazol-1-yl)phenyl]-3-(furan-2-yl)propanamide

C20H17N3O2 — CID 18140016

IUPACN-[4-(benzimidazol-1-yl)phenyl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)Nc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C20H17N3O2/c24-20(12-11-17-4-3-13-25-17)22-15-7-9-16(10-8-15)23-14-21-18-5-1-2-6-19(18)23/h1-10,13-14H,11-12H2,(H,22,24)
InChIKeyDCEMMDCMIIFVCK-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.19
Rot. Bonds5

About N-[4-(benzimidazol-1-yl)phenyl]-3-(furan-2-yl)propanamide

N-[4-(benzimidazol-1-yl)phenyl]-3-(furan-2-yl)propanamide (PubChem CID 18140016) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[4-(benzimidazol-1-yl)phenyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(benzimidazol-1-yl)phenyl]-3-(furan-2-yl)propanamide
PubChem CID18140016
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-[4-(benzimidazol-1-yl)phenyl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)Nc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C20H17N3O2/c24-20(12-11-17-4-3-13-25-17)22-15-7-9-16(10-8-15)23-14-21-18-5-1-2-6-19(18)23/h1-10,13-14H,11-12H2,(H,22,24)
InChIKeyDCEMMDCMIIFVCK-UHFFFAOYSA-N
XLogP4.19
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(benzimidazol-1-yl)phenyl]butanamide
CID 17479709
7-amino-N-[4-(benzimidazol-1-yl)phenyl]heptanamide;dihydrochloride
CID 119834351
4-(benzimidazol-1-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
CID 25329425
N-[4-(benzimidazol-1-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78840226
N-[4-(benzimidazol-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 41491570
2-amino-N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]acetamide
CID 166193330
N-[4-(benzimidazol-1-yl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 24513496
N-[4-(benzimidazol-1-yl)phenyl]-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanamide
CID 55556168
N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 24600085
N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide
CID 46688452
3-(furan-2-yl)-N-[4-(2-hydroxyethoxy)phenyl]propanamide
CID 111116197
N-[4-(benzimidazol-1-yl)phenyl]-2-(4-cyanophenyl)sulfanylacetamide
CID 166190288

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-3-(furan-2-yl)propanamide (CID 18140016) is N-[4-(benzimidazol-1-yl)phenyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[4-(benzimidazol-1-yl)phenyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[4-(benzimidazol-1-yl)phenyl]-3-(furan-2-yl)propanamide is O=C(CCc1ccco1)Nc1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of N-[4-(benzimidazol-1-yl)phenyl]-3-(furan-2-yl)propanamide?
The InChIKey is DCEMMDCMIIFVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-20(12-11-17-4-3-13-25-17)22-15-7-9-16(10-8-15)23-14-21-18-5-1-2-6-19(18)23/h1-10,13-14H,11-12H2,(H,22,24).
What are the key properties of N-[4-(benzimidazol-1-yl)phenyl]-3-(furan-2-yl)propanamide?
N-[4-(benzimidazol-1-yl)phenyl]-3-(furan-2-yl)propanamide has a molecular weight of 331.38 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzimidazol-1-yl)phenyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 18140016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).