N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-phenylacetamide

C15H19N5O — CID 25149425

IUPACN-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-phenylacetamide
SMILESN/C(=N\CCCc1cnc[nH]1)NC(=O)Cc1ccccc1
InChIInChI=1S/C15H19N5O/c16-15(18-8-4-7-13-10-17-11-19-13)20-14(21)9-12-5-2-1-3-6-12/h1-3,5-6,10-11H,4,7-9H2,(H,17,19)(H3,16,18,20,21)
InChIKeyWVGMEGPGIYKHTE-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.02
Rot. Bonds6

About N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-phenylacetamide

N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-phenylacetamide (PubChem CID 25149425) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-phenylacetamide
PubChem CID25149425
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-phenylacetamide
SMILESN/C(=N\CCCc1cnc[nH]1)NC(=O)Cc1ccccc1
InChIInChI=1S/C15H19N5O/c16-15(18-8-4-7-13-10-17-11-19-13)20-14(21)9-12-5-2-1-3-6-12/h1-3,5-6,10-11H,4,7-9H2,(H,17,19)(H3,16,18,20,21)
InChIKeyWVGMEGPGIYKHTE-UHFFFAOYSA-N
XLogP1.02
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-phenylacetamide?
The IUPAC name of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-phenylacetamide (CID 25149425) is N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-phenylacetamide.
What is the SMILES notation for N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-phenylacetamide?
The canonical SMILES for N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-phenylacetamide is N/C(=N\CCCc1cnc[nH]1)NC(=O)Cc1ccccc1.
What is the InChIKey of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-phenylacetamide?
The InChIKey is WVGMEGPGIYKHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c16-15(18-8-4-7-13-10-17-11-19-13)20-14(21)9-12-5-2-1-3-6-12/h1-3,5-6,10-11H,4,7-9H2,(H,17,19)(H3,16,18,20,21).
What are the key properties of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-phenylacetamide?
N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-phenylacetamide has a molecular weight of 285.35 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-phenylacetamide is sourced from PubChem (CID 25149425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).