1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea

C17H22N6O2 — CID 121496517

IUPAC1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
SMILESCCN(Cc1cnn(CC)c1)C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H22N6O2/c1-3-22(10-13-9-19-23(4-2)11-13)17(25)18-8-12-5-6-14-15(7-12)21-16(24)20-14/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,18,25)(H2,20,21,24)
InChIKeyLUOREPOFLZYIFA-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.80
Rot. Bonds6

About 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea

1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea (PubChem CID 121496517) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
PubChem CID121496517
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
SMILESCCN(Cc1cnn(CC)c1)C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H22N6O2/c1-3-22(10-13-9-19-23(4-2)11-13)17(25)18-8-12-5-6-14-15(7-12)21-16(24)20-14/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,18,25)(H2,20,21,24)
InChIKeyLUOREPOFLZYIFA-UHFFFAOYSA-N
XLogP1.80
TPSA98.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea with MolForge

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Related Compounds

2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 121496520
1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(9H-fluoren-2-yl)urea
CID 131935332
5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115234767
1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775421
1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 122568154
4-oxo-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]butanoic acid
CID 82501247
(1-ethylpyrazol-4-yl)methylurea
CID 131065199
1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583859
4-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylcarbamoyl-ethylamino]methyl]-N,N-dimethylbenzamide
CID 86970424
1-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]urea
CID 38151425
2-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]methyl]butanoic acid
CID 115249939
N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-N-(2-methylpropyl)-1H-imidazole-2-carboxamide
CID 91792565

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea?
The IUPAC name of 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea (CID 121496517) is 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea.
What is the SMILES notation for 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea?
The canonical SMILES for 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea is CCN(Cc1cnn(CC)c1)C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea?
The InChIKey is LUOREPOFLZYIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-3-22(10-13-9-19-23(4-2)11-13)17(25)18-8-12-5-6-14-15(7-12)21-16(24)20-14/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,18,25)(H2,20,21,24).
What are the key properties of 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea?
1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea has a molecular weight of 342.40 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea is sourced from PubChem (CID 121496517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).