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

C15H25N5O — CID 25149814

IUPAC2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]acetamide
SMILESN/C(=N\CCCc1cnc[nH]1)NC(=O)CC1CCCCC1
InChIInChI=1S/C15H25N5O/c16-15(18-8-4-7-13-10-17-11-19-13)20-14(21)9-12-5-2-1-3-6-12/h10-12H,1-9H2,(H,17,19)(H3,16,18,20,21)
InChIKeyGRHNPETZKNATKG-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.74
Rot. Bonds6

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

2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]acetamide (PubChem CID 25149814) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]acetamide
PubChem CID25149814
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]acetamide
SMILESN/C(=N\CCCc1cnc[nH]1)NC(=O)CC1CCCCC1
InChIInChI=1S/C15H25N5O/c16-15(18-8-4-7-13-10-17-11-19-13)20-14(21)9-12-5-2-1-3-6-12/h10-12H,1-9H2,(H,17,19)(H3,16,18,20,21)
InChIKeyGRHNPETZKNATKG-UHFFFAOYSA-N
XLogP1.74
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.74
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 2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]acetamide (CID 25149814) is 2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]acetamide is N/C(=N\CCCc1cnc[nH]1)NC(=O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]acetamide?
The InChIKey is GRHNPETZKNATKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c16-15(18-8-4-7-13-10-17-11-19-13)20-14(21)9-12-5-2-1-3-6-12/h10-12H,1-9H2,(H,17,19)(H3,16,18,20,21).
What are the key properties of 2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]acetamide?
2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]acetamide has a molecular weight of 291.40 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]acetamide is sourced from PubChem (CID 25149814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).