1-[4-(1H-imidazol-5-yl)butyl]-3-propylthiourea

C11H20N4S — CID 10060212

IUPAC1-[4-(1H-imidazol-5-yl)butyl]-3-propylthiourea
SMILESCCCNC(=S)NCCCCc1cnc[nH]1
InChIInChI=1S/C11H20N4S/c1-2-6-13-11(16)14-7-4-3-5-10-8-12-9-15-10/h8-9H,2-7H2,1H3,(H,12,15)(H2,13,14,16)
InChIKeyVDTPYXCCDUYBBO-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.61
Rot. Bonds7

About 1-[4-(1H-imidazol-5-yl)butyl]-3-propylthiourea

1-[4-(1H-imidazol-5-yl)butyl]-3-propylthiourea (PubChem CID 10060212) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 1-[4-(1H-imidazol-5-yl)butyl]-3-propylthiourea.

Molecular Properties

Compound Name1-[4-(1H-imidazol-5-yl)butyl]-3-propylthiourea
PubChem CID10060212
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name1-[4-(1H-imidazol-5-yl)butyl]-3-propylthiourea
SMILESCCCNC(=S)NCCCCc1cnc[nH]1
InChIInChI=1S/C11H20N4S/c1-2-6-13-11(16)14-7-4-3-5-10-8-12-9-15-10/h8-9H,2-7H2,1H3,(H,12,15)(H2,13,14,16)
InChIKeyVDTPYXCCDUYBBO-UHFFFAOYSA-N
XLogP1.61
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.61
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

Thioperamide
CID 3035905
Burimamide
CID 3032915
Cipralisant
CID 6450823
Impromidine
CID 41376
N(alpha)-methylhistamine
CID 912
alpha-Methyl-1H-imidazole-5-ethanamine
CID 3615
Immepip
CID 3035842
alpha-methylhistamine, (R)-
CID 156615
1H-Imidazole-4-pentanamine
CID 9793868
(1R,2S)-2-(1H-Imidazol-4-yl)-1-methyl-propylamine
CID 9972056
2-((1S,2S)-2-(1H-Imidazol-4-yl)cyclopropyl)ethanamine
CID 10154137
Vuf 8328
CID 10176414

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-imidazol-5-yl)butyl]-3-propylthiourea?
The IUPAC name of 1-[4-(1H-imidazol-5-yl)butyl]-3-propylthiourea (CID 10060212) is 1-[4-(1H-imidazol-5-yl)butyl]-3-propylthiourea.
What is the SMILES notation for 1-[4-(1H-imidazol-5-yl)butyl]-3-propylthiourea?
The canonical SMILES for 1-[4-(1H-imidazol-5-yl)butyl]-3-propylthiourea is CCCNC(=S)NCCCCc1cnc[nH]1.
What is the InChIKey of 1-[4-(1H-imidazol-5-yl)butyl]-3-propylthiourea?
The InChIKey is VDTPYXCCDUYBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-2-6-13-11(16)14-7-4-3-5-10-8-12-9-15-10/h8-9H,2-7H2,1H3,(H,12,15)(H2,13,14,16).
What are the key properties of 1-[4-(1H-imidazol-5-yl)butyl]-3-propylthiourea?
1-[4-(1H-imidazol-5-yl)butyl]-3-propylthiourea has a molecular weight of 240.38 g/mol, XLogP of 1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-imidazol-5-yl)butyl]-3-propylthiourea is sourced from PubChem (CID 10060212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).