1-ethyl-3-(4-pyrazol-1-yl-6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea

C17H16N8O — CID 11393909

IUPAC1-ethyl-3-(4-pyrazol-1-yl-6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cncnc3)cc2[nH]1
InChIInChI=1S/C17H16N8O/c1-2-20-17(26)24-16-22-13-6-11(12-8-18-10-19-9-12)7-14(15(13)23-16)25-5-3-4-21-25/h3-10H,2H2,1H3,(H3,20,22,23,24,26)
InChIKeyFZCBZBWWMSICME-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.35
Rot. Bonds4

About 1-ethyl-3-(4-pyrazol-1-yl-6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea

1-ethyl-3-(4-pyrazol-1-yl-6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea (PubChem CID 11393909) has the molecular formula C17H16N8O and a molecular weight of 348.37 g/mol. Its IUPAC name is 1-ethyl-3-(4-pyrazol-1-yl-6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(4-pyrazol-1-yl-6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea
PubChem CID11393909
Molecular FormulaC17H16N8O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name1-ethyl-3-(4-pyrazol-1-yl-6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cncnc3)cc2[nH]1
InChIInChI=1S/C17H16N8O/c1-2-20-17(26)24-16-22-13-6-11(12-8-18-10-19-9-12)7-14(15(13)23-16)25-5-3-4-21-25/h3-10H,2H2,1H3,(H3,20,22,23,24,26)
InChIKeyFZCBZBWWMSICME-UHFFFAOYSA-N
XLogP2.35
TPSA113.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

At-9283
CID 135398495
Gsk-1070916
CID 46885626
Ag-24322
CID 135413565
Bms-695735
CID 135441202
3-ethyl-1-[5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365956
Bms-986299
CID 137498152
1-[4-[(1~{R})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one
CID 145714274
N-(1H-indazol-5-yl)-N'-[2-(1H-indol-3-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine
CID 10111591
3-ethyl-1-[7-(1H-pyrazol-1-yl)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 11314018
1-ethyl-3-[7-(2-pyridyl)-5-(3-pyridyl)-1H-benzimidazol-2-yl]urea
CID 11428309
1-Ethyl-3-[5-(5-Fluoropyridin-3-Yl)-7-(Pyrimidin-2-Yl)-1h-Benzimidazol-2-Yl]urea
CID 11494578
3-ethyl-1-[7-(3-fluoropyridin-2-yl)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 11646514

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-pyrazol-1-yl-6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea?
The IUPAC name of 1-ethyl-3-(4-pyrazol-1-yl-6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea (CID 11393909) is 1-ethyl-3-(4-pyrazol-1-yl-6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(4-pyrazol-1-yl-6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(4-pyrazol-1-yl-6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea is CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3cncnc3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-(4-pyrazol-1-yl-6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea?
The InChIKey is FZCBZBWWMSICME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8O/c1-2-20-17(26)24-16-22-13-6-11(12-8-18-10-19-9-12)7-14(15(13)23-16)25-5-3-4-21-25/h3-10H,2H2,1H3,(H3,20,22,23,24,26).
What are the key properties of 1-ethyl-3-(4-pyrazol-1-yl-6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea?
1-ethyl-3-(4-pyrazol-1-yl-6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea has a molecular weight of 348.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-pyrazol-1-yl-6-pyrimidin-5-yl-1H-benzimidazol-2-yl)urea is sourced from PubChem (CID 11393909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).