1-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine

C8H15N5 — CID 13499387

IUPAC1-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine
SMILESC/N=C(\N)NCCCc1cnc[nH]1
InChIInChI=1S/C8H15N5/c1-10-8(9)12-4-2-3-7-5-11-6-13-7/h5-6H,2-4H2,1H3,(H,11,13)(H3,9,10,12)
InChIKeyBDCZRBRMRNIOFR-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.12
Rot. Bonds4

About 1-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine

1-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine (PubChem CID 13499387) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine
PubChem CID13499387
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name1-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine
SMILESC/N=C(\N)NCCCc1cnc[nH]1
InChIInChI=1S/C8H15N5/c1-10-8(9)12-4-2-3-7-5-11-6-13-7/h5-6H,2-4H2,1H3,(H,11,13)(H3,9,10,12)
InChIKeyBDCZRBRMRNIOFR-UHFFFAOYSA-N
XLogP-0.12
TPSA79.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

1,2-bis[3-(1H-imidazol-5-yl)propyl]guanidine
CID 13499378
1-[3-(1H-imidazol-5-yl)propyl]-2-[(4-iodophenyl)methyl]guanidine
CID 10045474
3-(1H-imidazol-5-yl)-N-methylpropan-1-amine
CID 19776442
1-[3-(1H-imidazol-5-yl)propyl]-3-propylthiourea
CID 10398801
1-[4-(1H-imidazol-5-yl)butyl]-3-isocyano-2-methylguanidine
CID 23524452
N-[4-(1H-imidazol-5-yl)butyl]-N'-methyl-2-nitroethanimidamide
CID 54038454
1-[3-(1H-imidazol-5-yl)propyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propyl]guanidine
CID 19830954
2-[3-(3,4-dichlorophenyl)sulfanylpropyl]-1-[3-(1H-imidazol-5-yl)propyl]guanidine
CID 14244921
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
2-[3-(1H-imidazol-5-yl)propyl]-1-[3-[(5-methyl-2-pyridinyl)methylamino]propyl]guanidine
CID 57078596
3-(1H-imidazol-5-yl)propyl N-pentylcarbamate
CID 10537959
3-(1H-imidazol-5-yl)propyl N-octylcarbamate
CID 10564790

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine?
The IUPAC name of 1-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine (CID 13499387) is 1-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine.
What is the SMILES notation for 1-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine?
The canonical SMILES for 1-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine is C/N=C(\N)NCCCc1cnc[nH]1.
What is the InChIKey of 1-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine?
The InChIKey is BDCZRBRMRNIOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-10-8(9)12-4-2-3-7-5-11-6-13-7/h5-6H,2-4H2,1H3,(H,11,13)(H3,9,10,12).
What are the key properties of 1-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine?
1-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine has a molecular weight of 181.24 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine is sourced from PubChem (CID 13499387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).