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

C9H15N5O — CID 42625384

IUPACN-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]acetamide
SMILESCC(=O)N/C(N)=N/CCCc1cnc[nH]1
InChIInChI=1S/C9H15N5O/c1-7(15)14-9(10)12-4-2-3-8-5-11-6-13-8/h5-6H,2-4H2,1H3,(H,11,13)(H3,10,12,14,15)
InChIKeyPWESNUDCWDBFNS-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.21
Rot. Bonds4

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

N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]acetamide (PubChem CID 42625384) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]acetamide.

Molecular Properties

Compound NameN-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]acetamide
PubChem CID42625384
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC NameN-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]acetamide
SMILESCC(=O)N/C(N)=N/CCCc1cnc[nH]1
InChIInChI=1S/C9H15N5O/c1-7(15)14-9(10)12-4-2-3-8-5-11-6-13-8/h5-6H,2-4H2,1H3,(H,11,13)(H3,10,12,14,15)
InChIKeyPWESNUDCWDBFNS-UHFFFAOYSA-N
XLogP-0.21
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.21
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]acetamide?
The IUPAC name of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]acetamide (CID 42625384) is N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]acetamide.
What is the SMILES notation for N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]acetamide?
The canonical SMILES for N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]acetamide is CC(=O)N/C(N)=N/CCCc1cnc[nH]1.
What is the InChIKey of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]acetamide?
The InChIKey is PWESNUDCWDBFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-7(15)14-9(10)12-4-2-3-8-5-11-6-13-8/h5-6H,2-4H2,1H3,(H,11,13)(H3,10,12,14,15).
What are the key properties of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]acetamide?
N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]acetamide has a molecular weight of 209.25 g/mol, XLogP of -0.21, 4 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]acetamide is sourced from PubChem (CID 42625384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).