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

C13H16N4O — CID 43709091

IUPAC2-amino-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
SMILESCCC(N)C(=O)Nc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C13H16N4O/c1-2-11(14)13(18)17-10-5-3-9(4-6-10)12-7-15-8-16-12/h3-8,11H,2,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyBCPROXJJJZYHHJ-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.75
Rot. Bonds4

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

2-amino-N-[4-(1H-imidazol-5-yl)phenyl]butanamide (PubChem CID 43709091) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-amino-N-[4-(1H-imidazol-5-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-amino-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
PubChem CID43709091
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-amino-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
SMILESCCC(N)C(=O)Nc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C13H16N4O/c1-2-11(14)13(18)17-10-5-3-9(4-6-10)12-7-15-8-16-12/h3-8,11H,2,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyBCPROXJJJZYHHJ-UHFFFAOYSA-N
XLogP1.75
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylpentanamide
CID 104902852
2-amino-2-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
CID 79809348
2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 62733559
N-[4-(1H-imidazol-5-yl)phenyl]-3-methylbut-2-enamide
CID 47143697
N-[4-(1H-imidazol-5-yl)phenyl]but-2-enamide
CID 78997234
4-[4-(1H-imidazol-5-yl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302307
4-(1H-imidazol-5-yl)-N-(3-methylpentan-2-yl)aniline
CID 43722361
4-[[(2S)-2-aminobutanoyl]amino]benzoic acid
CID 79023274
trans-(1S,3S)-3-[[4-(1H-imidazol-5-yl)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95391482
2-(4-ethoxyphenyl)-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 110668432
(2R)-2-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-[4-(1H-imidazol-5-yl)phenyl]propanamide
CID 99784978
N-[4-(1H-imidazol-5-yl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide
CID 102563631

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(1H-imidazol-5-yl)phenyl]butanamide?
The IUPAC name of 2-amino-N-[4-(1H-imidazol-5-yl)phenyl]butanamide (CID 43709091) is 2-amino-N-[4-(1H-imidazol-5-yl)phenyl]butanamide.
What is the SMILES notation for 2-amino-N-[4-(1H-imidazol-5-yl)phenyl]butanamide?
The canonical SMILES for 2-amino-N-[4-(1H-imidazol-5-yl)phenyl]butanamide is CCC(N)C(=O)Nc1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of 2-amino-N-[4-(1H-imidazol-5-yl)phenyl]butanamide?
The InChIKey is BCPROXJJJZYHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-11(14)13(18)17-10-5-3-9(4-6-10)12-7-15-8-16-12/h3-8,11H,2,14H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-amino-N-[4-(1H-imidazol-5-yl)phenyl]butanamide?
2-amino-N-[4-(1H-imidazol-5-yl)phenyl]butanamide has a molecular weight of 244.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(1H-imidazol-5-yl)phenyl]butanamide is sourced from PubChem (CID 43709091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).