4-amino-N-[(1-phenylimidazol-2-yl)methyl]butanamide

C14H18N4O — CID 110460814

IUPAC4-amino-N-[(1-phenylimidazol-2-yl)methyl]butanamide
SMILESNCCCC(=O)NCc1nccn1-c1ccccc1
InChIInChI=1S/C14H18N4O/c15-8-4-7-14(19)17-11-13-16-9-10-18(13)12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11,15H2,(H,17,19)
InChIKeyAFBGVQYAVGFFKP-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.23
Rot. Bonds6

About 4-amino-N-[(1-phenylimidazol-2-yl)methyl]butanamide

4-amino-N-[(1-phenylimidazol-2-yl)methyl]butanamide (PubChem CID 110460814) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-amino-N-[(1-phenylimidazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(1-phenylimidazol-2-yl)methyl]butanamide
PubChem CID110460814
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-amino-N-[(1-phenylimidazol-2-yl)methyl]butanamide
SMILESNCCCC(=O)NCc1nccn1-c1ccccc1
InChIInChI=1S/C14H18N4O/c15-8-4-7-14(19)17-11-13-16-9-10-18(13)12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11,15H2,(H,17,19)
InChIKeyAFBGVQYAVGFFKP-UHFFFAOYSA-N
XLogP1.23
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-phenylimidazol-2-yl)methyl]butanamide?
The IUPAC name of 4-amino-N-[(1-phenylimidazol-2-yl)methyl]butanamide (CID 110460814) is 4-amino-N-[(1-phenylimidazol-2-yl)methyl]butanamide.
What is the SMILES notation for 4-amino-N-[(1-phenylimidazol-2-yl)methyl]butanamide?
The canonical SMILES for 4-amino-N-[(1-phenylimidazol-2-yl)methyl]butanamide is NCCCC(=O)NCc1nccn1-c1ccccc1.
What is the InChIKey of 4-amino-N-[(1-phenylimidazol-2-yl)methyl]butanamide?
The InChIKey is AFBGVQYAVGFFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-8-4-7-14(19)17-11-13-16-9-10-18(13)12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11,15H2,(H,17,19).
What are the key properties of 4-amino-N-[(1-phenylimidazol-2-yl)methyl]butanamide?
4-amino-N-[(1-phenylimidazol-2-yl)methyl]butanamide has a molecular weight of 258.32 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-phenylimidazol-2-yl)methyl]butanamide is sourced from PubChem (CID 110460814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).