5-(6-chloro-1H-benzimidazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-1H-pyridazin-6-one

C18H13ClN4O3 — CID 135458205

IUPAC5-(6-chloro-1H-benzimidazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-1H-pyridazin-6-one
SMILESCOc1cc(-c2cc(-c3nc4ccc(Cl)cc4[nH]3)c(=O)[nH]n2)ccc1O
InChIInChI=1S/C18H13ClN4O3/c1-26-16-6-9(2-5-15(16)24)13-8-11(18(25)23-22-13)17-20-12-4-3-10(19)7-14(12)21-17/h2-8,24H,1H3,(H,20,21)(H,23,25)
InChIKeyYWXHMSRTTBLQOC-UHFFFAOYSA-N
MW368.78 g/mol
LogP3.35
Rot. Bonds3

About 5-(6-chloro-1H-benzimidazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-1H-pyridazin-6-one

5-(6-chloro-1H-benzimidazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-1H-pyridazin-6-one (PubChem CID 135458205) has the molecular formula C18H13ClN4O3 and a molecular weight of 368.78 g/mol. Its IUPAC name is 5-(6-chloro-1H-benzimidazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(6-chloro-1H-benzimidazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-1H-pyridazin-6-one
PubChem CID135458205
Molecular FormulaC18H13ClN4O3
Molecular Weight368.78 g/mol
Exact Mass368.07
IUPAC Name5-(6-chloro-1H-benzimidazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-1H-pyridazin-6-one
SMILESCOc1cc(-c2cc(-c3nc4ccc(Cl)cc4[nH]3)c(=O)[nH]n2)ccc1O
InChIInChI=1S/C18H13ClN4O3/c1-26-16-6-9(2-5-15(16)24)13-8-11(18(25)23-22-13)17-20-12-4-3-10(19)7-14(12)21-17/h2-8,24H,1H3,(H,20,21)(H,23,25)
InChIKeyYWXHMSRTTBLQOC-UHFFFAOYSA-N
XLogP3.35
TPSA103.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.78
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol
CID 135905264
2-methoxy-4-(6-phenyl-1H-benzimidazol-2-yl)phenol
CID 140987224
6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole
CID 60646512
2-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenol
CID 135616944
6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
CID 64722322
4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903703
2-bromo-4-(6-chloro-1H-benzimidazol-2-yl)phenol
CID 136837284
2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole
CID 136929715
2-(2,5-dichlorophenyl)-5,6-dimethoxy-1H-benzimidazole
CID 63399348
3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 135658624
2-(6-chloro-1H-benzimidazol-2-yl)-4-nitrophenol
CID 136830892
5,6-dichloro-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
CID 82004397

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-1H-benzimidazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-1H-pyridazin-6-one?
The IUPAC name of 5-(6-chloro-1H-benzimidazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-1H-pyridazin-6-one (CID 135458205) is 5-(6-chloro-1H-benzimidazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-(6-chloro-1H-benzimidazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-(6-chloro-1H-benzimidazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-1H-pyridazin-6-one is COc1cc(-c2cc(-c3nc4ccc(Cl)cc4[nH]3)c(=O)[nH]n2)ccc1O.
What is the InChIKey of 5-(6-chloro-1H-benzimidazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-1H-pyridazin-6-one?
The InChIKey is YWXHMSRTTBLQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O3/c1-26-16-6-9(2-5-15(16)24)13-8-11(18(25)23-22-13)17-20-12-4-3-10(19)7-14(12)21-17/h2-8,24H,1H3,(H,20,21)(H,23,25).
What are the key properties of 5-(6-chloro-1H-benzimidazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-1H-pyridazin-6-one?
5-(6-chloro-1H-benzimidazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-1H-pyridazin-6-one has a molecular weight of 368.78 g/mol, XLogP of 3.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-1H-benzimidazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 135458205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).