N-[4-(benzimidazol-1-yl)phenyl]butanamide

C17H17N3O — CID 17479709

IUPACN-[4-(benzimidazol-1-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C17H17N3O/c1-2-5-17(21)19-13-8-10-14(11-9-13)20-12-18-15-6-3-4-7-16(15)20/h3-4,6-12H,2,5H2,1H3,(H,19,21)
InChIKeyJUSFVFWCFIOOOY-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.76
Rot. Bonds4

About N-[4-(benzimidazol-1-yl)phenyl]butanamide

N-[4-(benzimidazol-1-yl)phenyl]butanamide (PubChem CID 17479709) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[4-(benzimidazol-1-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[4-(benzimidazol-1-yl)phenyl]butanamide
PubChem CID17479709
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[4-(benzimidazol-1-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C17H17N3O/c1-2-5-17(21)19-13-8-10-14(11-9-13)20-12-18-15-6-3-4-7-16(15)20/h3-4,6-12H,2,5H2,1H3,(H,19,21)
InChIKeyJUSFVFWCFIOOOY-UHFFFAOYSA-N
XLogP3.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-[4-(benzimidazol-1-yl)phenyl]heptanamide;dihydrochloride
CID 119834351
N-[4-(benzimidazol-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 41491570
N-[4-(benzimidazol-1-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78840226
N-[4-(benzimidazol-1-yl)phenyl]-3-(furan-2-yl)propanamide
CID 18140016
4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55948136
2-amino-N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]acetamide
CID 166193330
(Z)-N-[4-(benzimidazol-1-yl)phenyl]-2-methylpent-2-enamide
CID 60553883
N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 24600085
N-[6-(benzimidazol-1-yl)-3-pyridinyl]pentanamide
CID 134004728
(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-4-methylpentanamide
CID 119834374
N-[4-(benzimidazol-1-yl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 24513496
N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide
CID 46688452

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]butanamide?
The IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]butanamide (CID 17479709) is N-[4-(benzimidazol-1-yl)phenyl]butanamide.
What is the SMILES notation for N-[4-(benzimidazol-1-yl)phenyl]butanamide?
The canonical SMILES for N-[4-(benzimidazol-1-yl)phenyl]butanamide is CCCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of N-[4-(benzimidazol-1-yl)phenyl]butanamide?
The InChIKey is JUSFVFWCFIOOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-5-17(21)19-13-8-10-14(11-9-13)20-12-18-15-6-3-4-7-16(15)20/h3-4,6-12H,2,5H2,1H3,(H,19,21).
What are the key properties of N-[4-(benzimidazol-1-yl)phenyl]butanamide?
N-[4-(benzimidazol-1-yl)phenyl]butanamide has a molecular weight of 279.34 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzimidazol-1-yl)phenyl]butanamide is sourced from PubChem (CID 17479709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).