1-[(4-imidazol-1-ylphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea

C18H19N5O2 — CID 86850595

IUPAC1-[(4-imidazol-1-ylphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCc2ccc(-n3ccnc3)cc2)cn1
InChIInChI=1S/C18H19N5O2/c1-25-17-7-4-15(11-20-17)12-22-18(24)21-10-14-2-5-16(6-3-14)23-9-8-19-13-23/h2-9,11,13H,10,12H2,1H3,(H2,21,22,24)
InChIKeyGLRIKNNGJDUFDD-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.28
Rot. Bonds6

About 1-[(4-imidazol-1-ylphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea

1-[(4-imidazol-1-ylphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea (PubChem CID 86850595) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[(4-imidazol-1-ylphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[(4-imidazol-1-ylphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
PubChem CID86850595
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name1-[(4-imidazol-1-ylphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCc2ccc(-n3ccnc3)cc2)cn1
InChIInChI=1S/C18H19N5O2/c1-25-17-7-4-15(11-20-17)12-22-18(24)21-10-14-2-5-16(6-3-14)23-9-8-19-13-23/h2-9,11,13H,10,12H2,1H3,(H2,21,22,24)
InChIKeyGLRIKNNGJDUFDD-UHFFFAOYSA-N
XLogP2.28
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 51324930
4-imidazol-1-yl-N-(6-methoxy-3-pyridinyl)benzamide
CID 31532934
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
3-[(4-imidazol-1-ylphenyl)methylcarbamoylamino]-N-propylpropanamide
CID 86850589
1-[(4-fluorophenyl)methyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 38205199
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(4-imidazol-1-ylphenyl)methyl]urea
CID 111618688
(4-imidazol-1-ylphenyl)methyl 1-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxylate
CID 166360265
1-tert-butyl-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 115576607
1-(1-hydroxybutan-2-yl)-3-[(4-imidazol-1-ylphenyl)methyl]urea
CID 110908208
2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936418
N-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide
CID 86872246
1-[(4-imidazol-1-ylphenyl)methyl]-3-[[3-(phenylmethoxymethyl)phenyl]methyl]urea
CID 154857737

Frequently Asked Questions

What is the IUPAC name of 1-[(4-imidazol-1-ylphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[(4-imidazol-1-ylphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea (CID 86850595) is 1-[(4-imidazol-1-ylphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[(4-imidazol-1-ylphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[(4-imidazol-1-ylphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea is COc1ccc(CNC(=O)NCc2ccc(-n3ccnc3)cc2)cn1.
What is the InChIKey of 1-[(4-imidazol-1-ylphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea?
The InChIKey is GLRIKNNGJDUFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-25-17-7-4-15(11-20-17)12-22-18(24)21-10-14-2-5-16(6-3-14)23-9-8-19-13-23/h2-9,11,13H,10,12H2,1H3,(H2,21,22,24).
What are the key properties of 1-[(4-imidazol-1-ylphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea?
1-[(4-imidazol-1-ylphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea has a molecular weight of 337.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-imidazol-1-ylphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea is sourced from PubChem (CID 86850595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).