2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-1-pyridazin-3-ylbenzimidazole

C25H24N4O2 — CID 141329504

IUPAC2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-1-pyridazin-3-ylbenzimidazole
SMILESCOc1cccc(/C=C/c2nc3ccccc3n2-c2cccnn2)c1OC1CCCC1
InChIInChI=1S/C25H24N4O2/c1-30-22-13-6-8-18(25(22)31-19-9-2-3-10-19)15-16-23-27-20-11-4-5-12-21(20)29(23)24-14-7-17-26-28-24/h4-8,11-17,19H,2-3,9-10H2,1H3/b16-15+
InChIKeyQXIMQDHMMGQAIU-FOCLMDBBSA-N
MW412.49 g/mol
LogP5.32
Rot. Bonds6

About 2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-1-pyridazin-3-ylbenzimidazole

2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-1-pyridazin-3-ylbenzimidazole (PubChem CID 141329504) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-1-pyridazin-3-ylbenzimidazole.

Molecular Properties

Compound Name2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-1-pyridazin-3-ylbenzimidazole
PubChem CID141329504
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-1-pyridazin-3-ylbenzimidazole
SMILESCOc1cccc(/C=C/c2nc3ccccc3n2-c2cccnn2)c1OC1CCCC1
InChIInChI=1S/C25H24N4O2/c1-30-22-13-6-8-18(25(22)31-19-9-2-3-10-19)15-16-23-27-20-11-4-5-12-21(20)29(23)24-14-7-17-26-28-24/h4-8,11-17,19H,2-3,9-10H2,1H3/b16-15+
InChIKeyQXIMQDHMMGQAIU-FOCLMDBBSA-N
XLogP5.32
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]benzimidazol-1-yl]pyridine-3-carboxylic acid
CID 141329500
1-(5-bromopyrimidin-2-yl)-2-[2-(2,3-dimethoxyphenyl)ethenyl]benzimidazole
CID 91453105
1-(5-chloro-2-pyridinyl)-2-[(E)-2-[3-methoxy-2-(2-methylpropoxy)phenyl]ethenyl]benzimidazole
CID 58477815
6-[2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]benzimidazol-1-yl]pyridine-3-carbonitrile
CID 46701078
(NE)-N-[(2-cyclopentyloxy-3-methoxyphenyl)methylidene]hydroxylamine
CID 87204181
2-[2-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]benzimidazol-1-yl]-4-fluorobenzonitrile
CID 142789293
1-(3,5-dichloro-2-pyridinyl)-2-[(E)-2-(3-methoxy-2-phenylmethoxyphenyl)ethenyl]benzimidazole
CID 46701004
2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-quinolin-7-ylpyrido[1,2-a]pyrimidin-4-one
CID 67547660
4-[2-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]benzimidazol-1-yl]-3-fluorobenzonitrile
CID 46701484
6-[2-[(Z)-2-[3-methoxy-2-(2-methylpropoxy)phenyl]ethenyl]benzimidazol-1-yl]pyridine-3-carbonitrile
CID 46701080
(E)-3-(2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine
CID 117338371
3-bromo-2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one
CID 67547244

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-1-pyridazin-3-ylbenzimidazole?
The IUPAC name of 2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-1-pyridazin-3-ylbenzimidazole (CID 141329504) is 2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-1-pyridazin-3-ylbenzimidazole.
What is the SMILES notation for 2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-1-pyridazin-3-ylbenzimidazole?
The canonical SMILES for 2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-1-pyridazin-3-ylbenzimidazole is COc1cccc(/C=C/c2nc3ccccc3n2-c2cccnn2)c1OC1CCCC1.
What is the InChIKey of 2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-1-pyridazin-3-ylbenzimidazole?
The InChIKey is QXIMQDHMMGQAIU-FOCLMDBBSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-30-22-13-6-8-18(25(22)31-19-9-2-3-10-19)15-16-23-27-20-11-4-5-12-21(20)29(23)24-14-7-17-26-28-24/h4-8,11-17,19H,2-3,9-10H2,1H3/b16-15+.
What are the key properties of 2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-1-pyridazin-3-ylbenzimidazole?
2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-1-pyridazin-3-ylbenzimidazole has a molecular weight of 412.49 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-1-pyridazin-3-ylbenzimidazole is sourced from PubChem (CID 141329504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).