N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]butanamide

C13H17N3O — CID 82242863

IUPACN-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C13H17N3O/c1-2-3-12(17)16-11-6-4-10(5-7-11)13-14-8-9-15-13/h4-7H,2-3,8-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyURMAGYMBLLXGQR-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.77
Rot. Bonds4

About N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]butanamide

N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]butanamide (PubChem CID 82242863) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]butanamide
PubChem CID82242863
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C13H17N3O/c1-2-3-12(17)16-11-6-4-10(5-7-11)13-14-8-9-15-13/h4-7H,2-3,8-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyURMAGYMBLLXGQR-UHFFFAOYSA-N
XLogP1.77
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea
CID 82245950
2-(dimethylamino)-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetamide
CID 82245947
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;methanesulfonic acid
CID 76853603
N-(4-chlorophenyl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]acetamide
CID 127037567
1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-2-hydroxypropyl]urea;hydrochloride
CID 54603683
1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide;methanesulfonic acid
CID 76853602
N-(2,3-dihydro-1H-indol-5-yl)butanamide
CID 63253204
5-amino-1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide;dihydrochloride
CID 131880619
ethane;N-(4-methylphenyl)butanamide;molecular hydrogen
CID 155712374
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N',N'-dimethylethane-1,2-diamine
CID 82243004
N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide
CID 54813705

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]butanamide?
The IUPAC name of N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]butanamide (CID 82242863) is N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]butanamide.
What is the SMILES notation for N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]butanamide?
The canonical SMILES for N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]butanamide is CCCC(=O)Nc1ccc(C2=NCCN2)cc1.
What is the InChIKey of N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]butanamide?
The InChIKey is URMAGYMBLLXGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-3-12(17)16-11-6-4-10(5-7-11)13-14-8-9-15-13/h4-7H,2-3,8-9H2,1H3,(H,14,15)(H,16,17).
What are the key properties of N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]butanamide?
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]butanamide has a molecular weight of 231.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]butanamide is sourced from PubChem (CID 82242863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).