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

C14H23N5O — CID 25149431

IUPACN-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]cyclohexanecarboxamide
SMILESN/C(=N\CCCc1cnc[nH]1)NC(=O)C1CCCCC1
InChIInChI=1S/C14H23N5O/c15-14(17-8-4-7-12-9-16-10-18-12)19-13(20)11-5-2-1-3-6-11/h9-11H,1-8H2,(H,16,18)(H3,15,17,19,20)
InChIKeyBMUUWLQTYRICEF-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.35
Rot. Bonds5

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

N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]cyclohexanecarboxamide (PubChem CID 25149431) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]cyclohexanecarboxamide
PubChem CID25149431
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]cyclohexanecarboxamide
SMILESN/C(=N\CCCc1cnc[nH]1)NC(=O)C1CCCCC1
InChIInChI=1S/C14H23N5O/c15-14(17-8-4-7-12-9-16-10-18-12)19-13(20)11-5-2-1-3-6-11/h9-11H,1-8H2,(H,16,18)(H3,15,17,19,20)
InChIKeyBMUUWLQTYRICEF-UHFFFAOYSA-N
XLogP1.35
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.35
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]cyclohexanecarboxamide?
The IUPAC name of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]cyclohexanecarboxamide (CID 25149431) is N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]cyclohexanecarboxamide?
The canonical SMILES for N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]cyclohexanecarboxamide is N/C(=N\CCCc1cnc[nH]1)NC(=O)C1CCCCC1.
What is the InChIKey of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]cyclohexanecarboxamide?
The InChIKey is BMUUWLQTYRICEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c15-14(17-8-4-7-12-9-16-10-18-12)19-13(20)11-5-2-1-3-6-11/h9-11H,1-8H2,(H,16,18)(H3,15,17,19,20).
What are the key properties of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]cyclohexanecarboxamide?
N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]cyclohexanecarboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.35, 5 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]cyclohexanecarboxamide is sourced from PubChem (CID 25149431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).