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

C11H19N5O — CID 42625304

IUPACN-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-methylpropanamide
SMILESCC(C)C(=O)N/C(N)=N/CCCc1cnc[nH]1
InChIInChI=1S/C11H19N5O/c1-8(2)10(17)16-11(12)14-5-3-4-9-6-13-7-15-9/h6-8H,3-5H2,1-2H3,(H,13,15)(H3,12,14,16,17)
InChIKeyGCEYKTZXUXSFFO-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.43
Rot. Bonds5

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

N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-methylpropanamide (PubChem CID 42625304) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-methylpropanamide
PubChem CID42625304
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-methylpropanamide
SMILESCC(C)C(=O)N/C(N)=N/CCCc1cnc[nH]1
InChIInChI=1S/C11H19N5O/c1-8(2)10(17)16-11(12)14-5-3-4-9-6-13-7-15-9/h6-8H,3-5H2,1-2H3,(H,13,15)(H3,12,14,16,17)
InChIKeyGCEYKTZXUXSFFO-UHFFFAOYSA-N
XLogP0.43
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.43
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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CID 69602
Burimamide
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Decarboxy carnosine hydrochloride
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alpha-Methyl-1H-imidazole-5-ethanamine
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alpha-methylhistamine, (R)-
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Carcinine
CID 2574
1H-Imidazole-4-pentanamine
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(1R,2S)-2-(1H-Imidazol-4-yl)-1-methyl-propylamine
CID 9972056
4-(7,7-Dimethyl-oct-3-ynyl)-1H-imidazole
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4-(1H-imidazol-4-yl)butanamine
CID 13499360
1H-Imidazole-5-propanamine
CID 170389
1-[4-(1H-imidazol-4-yl)butyl]-3-propan-2-ylthiourea
CID 10060213

Frequently Asked Questions

What is the IUPAC name of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-methylpropanamide?
The IUPAC name of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-methylpropanamide (CID 42625304) is N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-methylpropanamide.
What is the SMILES notation for N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-methylpropanamide?
The canonical SMILES for N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-methylpropanamide is CC(C)C(=O)N/C(N)=N/CCCc1cnc[nH]1.
What is the InChIKey of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-methylpropanamide?
The InChIKey is GCEYKTZXUXSFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-8(2)10(17)16-11(12)14-5-3-4-9-6-13-7-15-9/h6-8H,3-5H2,1-2H3,(H,13,15)(H3,12,14,16,17).
What are the key properties of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-methylpropanamide?
N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-methylpropanamide has a molecular weight of 237.31 g/mol, XLogP of 0.43, 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]-2-methylpropanamide is sourced from PubChem (CID 42625304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).