1-benzhydryl-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea

C22H23N5O — CID 91629245

IUPAC1-benzhydryl-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea
SMILESCc1cc2n(CCNC(=O)NC(c3ccccc3)c3ccccc3)ccn2n1
InChIInChI=1S/C22H23N5O/c1-17-16-20-26(14-15-27(20)25-17)13-12-23-22(28)24-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,14-16,21H,12-13H2,1H3,(H2,23,24,28)
InChIKeyIAFICSRAAXVQHS-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.53
Rot. Bonds6

About 1-benzhydryl-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea

1-benzhydryl-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea (PubChem CID 91629245) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-benzhydryl-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea
PubChem CID91629245
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name1-benzhydryl-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea
SMILESCc1cc2n(CCNC(=O)NC(c3ccccc3)c3ccccc3)ccn2n1
InChIInChI=1S/C22H23N5O/c1-17-16-20-26(14-15-27(20)25-17)13-12-23-22(28)24-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,14-16,21H,12-13H2,1H3,(H2,23,24,28)
InChIKeyIAFICSRAAXVQHS-UHFFFAOYSA-N
XLogP3.53
TPSA63.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 91629216
1-(4-ethoxyphenyl)-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea
CID 91629241
2-(benzhydrylcarbamoylamino)acetic acid
CID 43445708
1-benzhydryl-3-octadecylurea
CID 142646590
1-benzhydryl-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]urea
CID 108874846
1-benzhydryl-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea
CID 72718802
N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide
CID 87023695
1-[(4-methylphenyl)-phenylmethyl]-3-propylurea
CID 133230842
3-(benzhydrylcarbamoylamino)propanoic acid
CID 108867375
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(2-methyl-1-phenylpropyl)urea
CID 86999484
1-benzhydryl-3-(2-methoxyethyl)urea
CID 108867401
1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea
CID 108867607

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea?
The IUPAC name of 1-benzhydryl-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea (CID 91629245) is 1-benzhydryl-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-benzhydryl-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea?
The canonical SMILES for 1-benzhydryl-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea is Cc1cc2n(CCNC(=O)NC(c3ccccc3)c3ccccc3)ccn2n1.
What is the InChIKey of 1-benzhydryl-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea?
The InChIKey is IAFICSRAAXVQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-17-16-20-26(14-15-27(20)25-17)13-12-23-22(28)24-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,14-16,21H,12-13H2,1H3,(H2,23,24,28).
What are the key properties of 1-benzhydryl-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea?
1-benzhydryl-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea has a molecular weight of 373.46 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea is sourced from PubChem (CID 91629245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).