[2-[6-(4-chlorophenoxy)pyridazin-3-yl]-3H-benzimidazol-5-yl] carbamate

C18H12ClN5O3 — CID 69372062

IUPAC[2-[6-(4-chlorophenoxy)pyridazin-3-yl]-3H-benzimidazol-5-yl] carbamate
SMILESNC(=O)Oc1ccc2nc(-c3ccc(Oc4ccc(Cl)cc4)nn3)[nH]c2c1
InChIInChI=1S/C18H12ClN5O3/c19-10-1-3-11(4-2-10)26-16-8-7-14(23-24-16)17-21-13-6-5-12(27-18(20)25)9-15(13)22-17/h1-9H,(H2,20,25)(H,21,22)
InChIKeyUQCURLOHHSBYCX-UHFFFAOYSA-N
MW381.78 g/mol
LogP3.92
Rot. Bonds4

About [2-[6-(4-chlorophenoxy)pyridazin-3-yl]-3H-benzimidazol-5-yl] carbamate

[2-[6-(4-chlorophenoxy)pyridazin-3-yl]-3H-benzimidazol-5-yl] carbamate (PubChem CID 69372062) has the molecular formula C18H12ClN5O3 and a molecular weight of 381.78 g/mol. Its IUPAC name is [2-[6-(4-chlorophenoxy)pyridazin-3-yl]-3H-benzimidazol-5-yl] carbamate.

Molecular Properties

Compound Name[2-[6-(4-chlorophenoxy)pyridazin-3-yl]-3H-benzimidazol-5-yl] carbamate
PubChem CID69372062
Molecular FormulaC18H12ClN5O3
Molecular Weight381.78 g/mol
Exact Mass381.06
IUPAC Name[2-[6-(4-chlorophenoxy)pyridazin-3-yl]-3H-benzimidazol-5-yl] carbamate
SMILESNC(=O)Oc1ccc2nc(-c3ccc(Oc4ccc(Cl)cc4)nn3)[nH]c2c1
InChIInChI=1S/C18H12ClN5O3/c19-10-1-3-11(4-2-10)26-16-8-7-14(23-24-16)17-21-13-6-5-12(27-18(20)25)9-15(13)22-17/h1-9H,(H2,20,25)(H,21,22)
InChIKeyUQCURLOHHSBYCX-UHFFFAOYSA-N
XLogP3.92
TPSA116.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.78
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-(4-ethylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69371809
[2-(4-pyridin-2-ylphenyl)-3H-benzimidazol-5-yl] carbamate
CID 69373002
[2-[3-chloro-4-(3-chloro-4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69372375
[2-[4-[4-(methanesulfonamido)phenoxy]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69371270
2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 10155700
[2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69346240
[2-[4-[1-(1H-imidazol-2-yl)ethyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69343445
[2-[4-[furan-3-yl(hydroxy)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69343119
[2-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69343226
[2-[4-(4-ethylphenyl)sulfanylphenyl]-3H-benzimidazol-5-yl] carbamate
CID 69371891
[2-(4-phenoxyphenyl)-3H-benzimidazol-5-yl] hydrogen carbonate
CID 67362236
[2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69342788

Frequently Asked Questions

What is the IUPAC name of [2-[6-(4-chlorophenoxy)pyridazin-3-yl]-3H-benzimidazol-5-yl] carbamate?
The IUPAC name of [2-[6-(4-chlorophenoxy)pyridazin-3-yl]-3H-benzimidazol-5-yl] carbamate (CID 69372062) is [2-[6-(4-chlorophenoxy)pyridazin-3-yl]-3H-benzimidazol-5-yl] carbamate.
What is the SMILES notation for [2-[6-(4-chlorophenoxy)pyridazin-3-yl]-3H-benzimidazol-5-yl] carbamate?
The canonical SMILES for [2-[6-(4-chlorophenoxy)pyridazin-3-yl]-3H-benzimidazol-5-yl] carbamate is NC(=O)Oc1ccc2nc(-c3ccc(Oc4ccc(Cl)cc4)nn3)[nH]c2c1.
What is the InChIKey of [2-[6-(4-chlorophenoxy)pyridazin-3-yl]-3H-benzimidazol-5-yl] carbamate?
The InChIKey is UQCURLOHHSBYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5O3/c19-10-1-3-11(4-2-10)26-16-8-7-14(23-24-16)17-21-13-6-5-12(27-18(20)25)9-15(13)22-17/h1-9H,(H2,20,25)(H,21,22).
What are the key properties of [2-[6-(4-chlorophenoxy)pyridazin-3-yl]-3H-benzimidazol-5-yl] carbamate?
[2-[6-(4-chlorophenoxy)pyridazin-3-yl]-3H-benzimidazol-5-yl] carbamate has a molecular weight of 381.78 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(4-chlorophenoxy)pyridazin-3-yl]-3H-benzimidazol-5-yl] carbamate is sourced from PubChem (CID 69372062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).