1-ethyl-3-[6-(3-hydroxy-4-methoxyphenyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea

C20H20N6O3 — CID 11773745

IUPAC1-ethyl-3-[6-(3-hydroxy-4-methoxyphenyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccc(OC)c(O)c3)cc2[nH]1
InChIInChI=1S/C20H20N6O3/c1-3-21-20(28)25-19-23-14-9-13(12-5-6-17(29-2)16(27)11-12)10-15(18(14)24-19)26-8-4-7-22-26/h4-11,27H,3H2,1-2H3,(H3,21,23,24,25,28)
InChIKeyJPQHPZDBPAUYHF-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.27
Rot. Bonds5

About 1-ethyl-3-[6-(3-hydroxy-4-methoxyphenyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea

1-ethyl-3-[6-(3-hydroxy-4-methoxyphenyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea (PubChem CID 11773745) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 1-ethyl-3-[6-(3-hydroxy-4-methoxyphenyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[6-(3-hydroxy-4-methoxyphenyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
PubChem CID11773745
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name1-ethyl-3-[6-(3-hydroxy-4-methoxyphenyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccc(OC)c(O)c3)cc2[nH]1
InChIInChI=1S/C20H20N6O3/c1-3-21-20(28)25-19-23-14-9-13(12-5-6-17(29-2)16(27)11-12)10-15(18(14)24-19)26-8-4-7-22-26/h4-11,27H,3H2,1-2H3,(H3,21,23,24,25,28)
InChIKeyJPQHPZDBPAUYHF-UHFFFAOYSA-N
XLogP3.27
TPSA117.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-(1H-Benzimidazol-2-YL)-1H-indazol-6-YL)-2-methoxyphenol
CID 135446004
1-(3-Methoxy-4-((4-methoxybenzyl)oxy)benzyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-benzo[d]imidazol-2-amine
CID 91801232
2-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-indazol-6-yl}phenol
CID 135928471
6-[1-[2-(3-methoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole
CID 53378966
6-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole
CID 53378967
6-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole
CID 53379083
4-[3-(6-amino-1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol
CID 136123435
5-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 168270861
N-[3-(2-fluoro-4-methoxyphenyl)-5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide
CID 89501173
N-[3-(6-methoxy-3-pyridinyl)-5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide
CID 117777694
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-methoxy-5-methylphenol
CID 136115608
2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole
CID 122189103

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[6-(3-hydroxy-4-methoxyphenyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-ethyl-3-[6-(3-hydroxy-4-methoxyphenyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea (CID 11773745) is 1-ethyl-3-[6-(3-hydroxy-4-methoxyphenyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[6-(3-hydroxy-4-methoxyphenyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[6-(3-hydroxy-4-methoxyphenyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccc(OC)c(O)c3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-[6-(3-hydroxy-4-methoxyphenyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?
The InChIKey is JPQHPZDBPAUYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-3-21-20(28)25-19-23-14-9-13(12-5-6-17(29-2)16(27)11-12)10-15(18(14)24-19)26-8-4-7-22-26/h4-11,27H,3H2,1-2H3,(H3,21,23,24,25,28).
What are the key properties of 1-ethyl-3-[6-(3-hydroxy-4-methoxyphenyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?
1-ethyl-3-[6-(3-hydroxy-4-methoxyphenyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea has a molecular weight of 392.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[6-(3-hydroxy-4-methoxyphenyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 11773745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).