4-ethyl-6-[4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-5-yl]benzene-1,3-diol

C19H18N4O2 — CID 687557

IUPAC4-ethyl-6-[4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-5-yl]benzene-1,3-diol
SMILESCCc1cc(-c2[nH]ncc2-c2nc3ccccc3n2C)c(O)cc1O
InChIInChI=1S/C19H18N4O2/c1-3-11-8-12(17(25)9-16(11)24)18-13(10-20-22-18)19-21-14-6-4-5-7-15(14)23(19)2/h4-10,24-25H,3H2,1-2H3,(H,20,22)
InChIKeyKGKHMIDZXHFCKO-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.60
Rot. Bonds3

About 4-ethyl-6-[4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-5-yl]benzene-1,3-diol

4-ethyl-6-[4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-5-yl]benzene-1,3-diol (PubChem CID 687557) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-ethyl-6-[4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-ethyl-6-[4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-5-yl]benzene-1,3-diol
PubChem CID687557
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name4-ethyl-6-[4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-5-yl]benzene-1,3-diol
SMILESCCc1cc(-c2[nH]ncc2-c2nc3ccccc3n2C)c(O)cc1O
InChIInChI=1S/C19H18N4O2/c1-3-11-8-12(17(25)9-16(11)24)18-13(10-20-22-18)19-21-14-6-4-5-7-15(14)23(19)2/h4-10,24-25H,3H2,1-2H3,(H,20,22)
InChIKeyKGKHMIDZXHFCKO-UHFFFAOYSA-N
XLogP3.60
TPSA86.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

CID 656975
CID 656975
CID 687562
CID 687562
CID 135439792
CID 135439792
CID 987909
CID 987909
CID 986570
CID 986570
CID 57960875
CID 57960875
CID 136115601
CID 136115601
CID 4069724
CID 4069724
CID 135490808
CID 135490808
CID 4879307
CID 4879307
CID 135657520
CID 135657520
CID 162651271
CID 162651271

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-5-yl]benzene-1,3-diol?
The IUPAC name of 4-ethyl-6-[4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-5-yl]benzene-1,3-diol (CID 687557) is 4-ethyl-6-[4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 4-ethyl-6-[4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 4-ethyl-6-[4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-5-yl]benzene-1,3-diol is CCc1cc(-c2[nH]ncc2-c2nc3ccccc3n2C)c(O)cc1O.
What is the InChIKey of 4-ethyl-6-[4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-5-yl]benzene-1,3-diol?
The InChIKey is KGKHMIDZXHFCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-3-11-8-12(17(25)9-16(11)24)18-13(10-20-22-18)19-21-14-6-4-5-7-15(14)23(19)2/h4-10,24-25H,3H2,1-2H3,(H,20,22).
What are the key properties of 4-ethyl-6-[4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-5-yl]benzene-1,3-diol?
4-ethyl-6-[4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-5-yl]benzene-1,3-diol has a molecular weight of 334.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 687557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).