1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea

C24H26N6O — CID 55808706

IUPAC1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
SMILESCC(C)c1nccn1Cc1cccc(NC(=O)NCc2ccc(-n3cccn3)cc2)c1
InChIInChI=1S/C24H26N6O/c1-18(2)23-25-12-14-29(23)17-20-5-3-6-21(15-20)28-24(31)26-16-19-7-9-22(10-8-19)30-13-4-11-27-30/h3-15,18H,16-17H2,1-2H3,(H2,26,28,31)
InChIKeyKHQMZWVEXXTOQO-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.56
Rot. Bonds7

About 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea

1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea (PubChem CID 55808706) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
PubChem CID55808706
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
SMILESCC(C)c1nccn1Cc1cccc(NC(=O)NCc2ccc(-n3cccn3)cc2)c1
InChIInChI=1S/C24H26N6O/c1-18(2)23-25-12-14-29(23)17-20-5-3-6-21(15-20)28-24(31)26-16-19-7-9-22(10-8-19)30-13-4-11-27-30/h3-15,18H,16-17H2,1-2H3,(H2,26,28,31)
InChIKeyKHQMZWVEXXTOQO-UHFFFAOYSA-N
XLogP4.56
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methyltriazol-4-yl)methyl]-3-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]urea
CID 146087815
3-(4-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide
CID 55858307
1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(5-sulfamoylthiophen-2-yl)methyl]urea
CID 146083340
N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 55858949
1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]urea
CID 87007209
(2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride
CID 119855817
2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 120703872
1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[1-(1H-pyrazol-4-yl)ethyl]urea
CID 71908781
2-(1-hydroxycyclopentyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 111430663
(3R)-3-hydroxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide
CID 111431403
(2S)-2-amino-4-methyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pentanamide
CID 119855852
1-[3-(2-pyrazol-1-ylethoxy)phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55836595

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea?
The IUPAC name of 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea (CID 55808706) is 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea is CC(C)c1nccn1Cc1cccc(NC(=O)NCc2ccc(-n3cccn3)cc2)c1.
What is the InChIKey of 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea?
The InChIKey is KHQMZWVEXXTOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-18(2)23-25-12-14-29(23)17-20-5-3-6-21(15-20)28-24(31)26-16-19-7-9-22(10-8-19)30-13-4-11-27-30/h3-15,18H,16-17H2,1-2H3,(H2,26,28,31).
What are the key properties of 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea?
1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea has a molecular weight of 414.51 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea is sourced from PubChem (CID 55808706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).