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

C19H24N6O — CID 71908781

IUPAC1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[1-(1H-pyrazol-4-yl)ethyl]urea
SMILESCC(C)c1nccn1Cc1cccc(NC(=O)NC(C)c2cn[nH]c2)c1
InChIInChI=1S/C19H24N6O/c1-13(2)18-20-7-8-25(18)12-15-5-4-6-17(9-15)24-19(26)23-14(3)16-10-21-22-11-16/h4-11,13-14H,12H2,1-3H3,(H,21,22)(H2,23,24,26)
InChIKeyURNWGBNHHLJDCW-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.66
Rot. Bonds6

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

1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[1-(1H-pyrazol-4-yl)ethyl]urea (PubChem CID 71908781) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[1-(1H-pyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[1-(1H-pyrazol-4-yl)ethyl]urea
PubChem CID71908781
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[1-(1H-pyrazol-4-yl)ethyl]urea
SMILESCC(C)c1nccn1Cc1cccc(NC(=O)NC(C)c2cn[nH]c2)c1
InChIInChI=1S/C19H24N6O/c1-13(2)18-20-7-8-25(18)12-15-5-4-6-17(9-15)24-19(26)23-14(3)16-10-21-22-11-16/h4-11,13-14H,12H2,1-3H3,(H,21,22)(H2,23,24,26)
InChIKeyURNWGBNHHLJDCW-UHFFFAOYSA-N
XLogP3.66
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[1-(1H-pyrazol-4-yl)ethyl]urea with MolForge

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Related Compounds

1-[(1R)-1-phenylbut-3-ynyl]-3-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]urea
CID 97245249
2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 120703872
(2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride
CID 119855817
1-[(2-methyltriazol-4-yl)methyl]-3-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]urea
CID 146087815
1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55808706
1-(3-methoxyphenyl)-3-[1-(1H-pyrazol-4-yl)ethyl]urea
CID 103853156
1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]urea
CID 87007209
3-(4-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide
CID 55858307
5-ethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide
CID 78901705
(2S)-2-amino-4-methyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pentanamide
CID 119855852
N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 55858949
2-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride
CID 119855845

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[1-(1H-pyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[1-(1H-pyrazol-4-yl)ethyl]urea (CID 71908781) is 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[1-(1H-pyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[1-(1H-pyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[1-(1H-pyrazol-4-yl)ethyl]urea is CC(C)c1nccn1Cc1cccc(NC(=O)NC(C)c2cn[nH]c2)c1.
What is the InChIKey of 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[1-(1H-pyrazol-4-yl)ethyl]urea?
The InChIKey is URNWGBNHHLJDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-13(2)18-20-7-8-25(18)12-15-5-4-6-17(9-15)24-19(26)23-14(3)16-10-21-22-11-16/h4-11,13-14H,12H2,1-3H3,(H,21,22)(H2,23,24,26).
What are the key properties of 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[1-(1H-pyrazol-4-yl)ethyl]urea?
1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[1-(1H-pyrazol-4-yl)ethyl]urea has a molecular weight of 352.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[1-(1H-pyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 71908781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).