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

C18H25N5O — CID 25149811

IUPACN-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-5-phenylpentanamide
SMILESN/C(=N\CCCc1cnc[nH]1)NC(=O)CCCCc1ccccc1
InChIInChI=1S/C18H25N5O/c19-18(21-12-6-10-16-13-20-14-22-16)23-17(24)11-5-4-9-15-7-2-1-3-8-15/h1-3,7-8,13-14H,4-6,9-12H2,(H,20,22)(H3,19,21,23,24)
InChIKeyCSAKAHRWRJLYBQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.19
Rot. Bonds9

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

N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-5-phenylpentanamide (PubChem CID 25149811) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-5-phenylpentanamide.

Molecular Properties

Compound NameN-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-5-phenylpentanamide
PubChem CID25149811
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-5-phenylpentanamide
SMILESN/C(=N\CCCc1cnc[nH]1)NC(=O)CCCCc1ccccc1
InChIInChI=1S/C18H25N5O/c19-18(21-12-6-10-16-13-20-14-22-16)23-17(24)11-5-4-9-15-7-2-1-3-8-15/h1-3,7-8,13-14H,4-6,9-12H2,(H,20,22)(H3,19,21,23,24)
InChIKeyCSAKAHRWRJLYBQ-UHFFFAOYSA-N
XLogP2.19
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.19
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-5-phenylpentanamide?
The IUPAC name of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-5-phenylpentanamide (CID 25149811) is N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-5-phenylpentanamide.
What is the SMILES notation for N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-5-phenylpentanamide?
The canonical SMILES for N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-5-phenylpentanamide is N/C(=N\CCCc1cnc[nH]1)NC(=O)CCCCc1ccccc1.
What is the InChIKey of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-5-phenylpentanamide?
The InChIKey is CSAKAHRWRJLYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c19-18(21-12-6-10-16-13-20-14-22-16)23-17(24)11-5-4-9-15-7-2-1-3-8-15/h1-3,7-8,13-14H,4-6,9-12H2,(H,20,22)(H3,19,21,23,24).
What are the key properties of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-5-phenylpentanamide?
N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-5-phenylpentanamide has a molecular weight of 327.43 g/mol, XLogP of 2.19, 9 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]-5-phenylpentanamide is sourced from PubChem (CID 25149811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).