4-(1H-imidazol-5-yl)butanamide

C7H11N3O — CID 45120741

IUPAC4-(1H-imidazol-5-yl)butanamide
SMILESNC(=O)CCCc1cnc[nH]1
InChIInChI=1S/C7H11N3O/c8-7(11)3-1-2-6-4-9-5-10-6/h4-5H,1-3H2,(H2,8,11)(H,9,10)
InChIKeyAKZSBPXLCAAWJU-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.22
Rot. Bonds4

About 4-(1H-imidazol-5-yl)butanamide

4-(1H-imidazol-5-yl)butanamide (PubChem CID 45120741) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)butanamide.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)butanamide
PubChem CID45120741
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name4-(1H-imidazol-5-yl)butanamide
SMILESNC(=O)CCCc1cnc[nH]1
InChIInChI=1S/C7H11N3O/c8-7(11)3-1-2-6-4-9-5-10-6/h4-5H,1-3H2,(H2,8,11)(H,9,10)
InChIKeyAKZSBPXLCAAWJU-UHFFFAOYSA-N
XLogP0.22
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Imidazole-5-propanoic acid
CID 70630
(alphaS)-alpha-Amino-1H-imidazole-5-propanal
CID 152657
1H-Imidazole-4-pentanamine
CID 9793868
4-(1H-imidazol-4-yl)butanamine
CID 13499360
1H-Imidazole-5-propanamine
CID 170389
L-Histidinamide
CID 445697
6-(1H-imidazol-5-yl)hexan-1-amine
CID 10261471
10-(1H-imidazol-5-yl)decan-1-amine
CID 10263017
Methyl 3-(1H-Imidazol-5-Yl)Propanoate
CID 565491
BAY-o-6997
CID 775
(2s)-2-Amino-4-(2-Amino-1h-Imidazol-5-Yl)butanoic Acid
CID 45259048
N,N'-bis[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]decanediamide
CID 56954322

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-yl)butanamide?
The IUPAC name of 4-(1H-imidazol-5-yl)butanamide (CID 45120741) is 4-(1H-imidazol-5-yl)butanamide.
What is the SMILES notation for 4-(1H-imidazol-5-yl)butanamide?
The canonical SMILES for 4-(1H-imidazol-5-yl)butanamide is NC(=O)CCCc1cnc[nH]1.
What is the InChIKey of 4-(1H-imidazol-5-yl)butanamide?
The InChIKey is AKZSBPXLCAAWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c8-7(11)3-1-2-6-4-9-5-10-6/h4-5H,1-3H2,(H2,8,11)(H,9,10).
What are the key properties of 4-(1H-imidazol-5-yl)butanamide?
4-(1H-imidazol-5-yl)butanamide has a molecular weight of 153.19 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-yl)butanamide is sourced from PubChem (CID 45120741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).