1-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(6-methyl-2-pyridinyl)thiourea

C18H19N5S — CID 100638046

IUPAC1-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(6-methyl-2-pyridinyl)thiourea
SMILESCc1cccc(NC(=S)NCc2ccccc2-n2ccnc2C)n1
InChIInChI=1S/C18H19N5S/c1-13-6-5-9-17(21-13)22-18(24)20-12-15-7-3-4-8-16(15)23-11-10-19-14(23)2/h3-11H,12H2,1-2H3,(H2,20,21,22,24)
InChIKeyQEXLEZHMNQQAAG-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.37
Rot. Bonds4

About 1-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(6-methyl-2-pyridinyl)thiourea

1-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(6-methyl-2-pyridinyl)thiourea (PubChem CID 100638046) has the molecular formula C18H19N5S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(6-methyl-2-pyridinyl)thiourea.

Molecular Properties

Compound Name1-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(6-methyl-2-pyridinyl)thiourea
PubChem CID100638046
Molecular FormulaC18H19N5S
Molecular Weight337.45 g/mol
Exact Mass337.14
IUPAC Name1-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(6-methyl-2-pyridinyl)thiourea
SMILESCc1cccc(NC(=S)NCc2ccccc2-n2ccnc2C)n1
InChIInChI=1S/C18H19N5S/c1-13-6-5-9-17(21-13)22-18(24)20-12-15-7-3-4-8-16(15)23-11-10-19-14(23)2/h3-11H,12H2,1-2H3,(H2,20,21,22,24)
InChIKeyQEXLEZHMNQQAAG-UHFFFAOYSA-N
XLogP3.37
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxyphenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]thiourea
CID 100636951
1-[(2-ethoxyphenyl)methyl]-3-(6-methyl-2-pyridinyl)thiourea
CID 100634916
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949
1-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100637696
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 99953800
(3R)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 30379318
(2S)-2-benzylsulfanyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 92678022
1-(3-methoxyphenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea
CID 94800208
1-(2,4-difluorophenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea
CID 47085409
4-[(carbamoylamino)methyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 49083686
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-pyridin-3-ylpropanamide
CID 48735080
3-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 28568439

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(6-methyl-2-pyridinyl)thiourea?
The IUPAC name of 1-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(6-methyl-2-pyridinyl)thiourea (CID 100638046) is 1-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(6-methyl-2-pyridinyl)thiourea.
What is the SMILES notation for 1-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(6-methyl-2-pyridinyl)thiourea?
The canonical SMILES for 1-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(6-methyl-2-pyridinyl)thiourea is Cc1cccc(NC(=S)NCc2ccccc2-n2ccnc2C)n1.
What is the InChIKey of 1-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(6-methyl-2-pyridinyl)thiourea?
The InChIKey is QEXLEZHMNQQAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5S/c1-13-6-5-9-17(21-13)22-18(24)20-12-15-7-3-4-8-16(15)23-11-10-19-14(23)2/h3-11H,12H2,1-2H3,(H2,20,21,22,24).
What are the key properties of 1-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(6-methyl-2-pyridinyl)thiourea?
1-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(6-methyl-2-pyridinyl)thiourea has a molecular weight of 337.45 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(6-methyl-2-pyridinyl)thiourea is sourced from PubChem (CID 100638046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).