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

C10H18N4S — CID 10398801

IUPAC1-[3-(1H-imidazol-5-yl)propyl]-3-propylthiourea
SMILESCCCNC(=S)NCCCc1cnc[nH]1
InChIInChI=1S/C10H18N4S/c1-2-5-12-10(15)13-6-3-4-9-7-11-8-14-9/h7-8H,2-6H2,1H3,(H,11,14)(H2,12,13,15)
InChIKeyXHNGLMGAJKRGKS-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.22
Rot. Bonds6

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

1-[3-(1H-imidazol-5-yl)propyl]-3-propylthiourea (PubChem CID 10398801) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 1-[3-(1H-imidazol-5-yl)propyl]-3-propylthiourea.

Molecular Properties

Compound Name1-[3-(1H-imidazol-5-yl)propyl]-3-propylthiourea
PubChem CID10398801
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name1-[3-(1H-imidazol-5-yl)propyl]-3-propylthiourea
SMILESCCCNC(=S)NCCCc1cnc[nH]1
InChIInChI=1S/C10H18N4S/c1-2-5-12-10(15)13-6-3-4-9-7-11-8-14-9/h7-8H,2-6H2,1H3,(H,11,14)(H2,12,13,15)
InChIKeyXHNGLMGAJKRGKS-UHFFFAOYSA-N
XLogP1.22
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(1H-imidazol-5-yl)-N-methylpropan-1-amine
CID 19776442
1-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine
CID 13499387
5-hexyl-1H-imidazole
CID 14225142
3-(1H-imidazol-5-yl)propyl N-pentylcarbamate
CID 10537959
3-cyclopentyl-N-[3-(1H-imidazol-5-yl)propyl]propanethioamide
CID 11777650
3-(1H-imidazol-5-yl)propyl N-octylcarbamate
CID 10564790
1,2-bis[3-(1H-imidazol-5-yl)propyl]guanidine
CID 13499378
N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide
CID 171117218
1-(4-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]thiourea
CID 4874785
N-[2-(1H-imidazol-5-yl)ethyl]heptanamide
CID 14712098
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylprop-2-enamide
CID 54544800
1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231782

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-imidazol-5-yl)propyl]-3-propylthiourea?
The IUPAC name of 1-[3-(1H-imidazol-5-yl)propyl]-3-propylthiourea (CID 10398801) is 1-[3-(1H-imidazol-5-yl)propyl]-3-propylthiourea.
What is the SMILES notation for 1-[3-(1H-imidazol-5-yl)propyl]-3-propylthiourea?
The canonical SMILES for 1-[3-(1H-imidazol-5-yl)propyl]-3-propylthiourea is CCCNC(=S)NCCCc1cnc[nH]1.
What is the InChIKey of 1-[3-(1H-imidazol-5-yl)propyl]-3-propylthiourea?
The InChIKey is XHNGLMGAJKRGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-2-5-12-10(15)13-6-3-4-9-7-11-8-14-9/h7-8H,2-6H2,1H3,(H,11,14)(H2,12,13,15).
What are the key properties of 1-[3-(1H-imidazol-5-yl)propyl]-3-propylthiourea?
1-[3-(1H-imidazol-5-yl)propyl]-3-propylthiourea has a molecular weight of 226.35 g/mol, XLogP of 1.22, 6 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]-3-propylthiourea is sourced from PubChem (CID 10398801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).