2-(2-ethylbenzimidazol-1-yl)-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone

C20H24N6O — CID 136524686

IUPAC2-(2-ethylbenzimidazol-1-yl)-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone
SMILESCCc1nc2ccccc2n1CC(=O)N1CCCN(c2cccnn2)CC1
InChIInChI=1S/C20H24N6O/c1-2-18-22-16-7-3-4-8-17(16)26(18)15-20(27)25-12-6-11-24(13-14-25)19-9-5-10-21-23-19/h3-5,7-10H,2,6,11-15H2,1H3
InChIKeyQWBNIPJMVPYMOB-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.13
Rot. Bonds4

About 2-(2-ethylbenzimidazol-1-yl)-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone

2-(2-ethylbenzimidazol-1-yl)-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone (PubChem CID 136524686) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(2-ethylbenzimidazol-1-yl)-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-ethylbenzimidazol-1-yl)-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone
PubChem CID136524686
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name2-(2-ethylbenzimidazol-1-yl)-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone
SMILESCCc1nc2ccccc2n1CC(=O)N1CCCN(c2cccnn2)CC1
InChIInChI=1S/C20H24N6O/c1-2-18-22-16-7-3-4-8-17(16)26(18)15-20(27)25-12-6-11-24(13-14-25)19-9-5-10-21-23-19/h3-5,7-10H,2,6,11-15H2,1H3
InChIKeyQWBNIPJMVPYMOB-UHFFFAOYSA-N
XLogP2.13
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-ethylbenzimidazol-1-yl)-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone with MolForge

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone
CID 86894393
2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 16995636
(2S)-2-phenyl-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)pentan-1-one
CID 98694188
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone
CID 124544976
N-[[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]acetamide
CID 17006020
3-(4-methylphenoxy)-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)propan-1-one
CID 56778438
3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060327
1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone
CID 115569311
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone
CID 121060359
2-(2-ethylbenzimidazol-1-yl)-1-[2-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 138993183
methyl 2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetate
CID 859540
(3aS,6aR)-2-[2-(2-ethylbenzimidazol-1-yl)acetyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683774

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone?
The IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone (CID 136524686) is 2-(2-ethylbenzimidazol-1-yl)-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone.
What is the SMILES notation for 2-(2-ethylbenzimidazol-1-yl)-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone?
The canonical SMILES for 2-(2-ethylbenzimidazol-1-yl)-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone is CCc1nc2ccccc2n1CC(=O)N1CCCN(c2cccnn2)CC1.
What is the InChIKey of 2-(2-ethylbenzimidazol-1-yl)-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone?
The InChIKey is QWBNIPJMVPYMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-2-18-22-16-7-3-4-8-17(16)26(18)15-20(27)25-12-6-11-24(13-14-25)19-9-5-10-21-23-19/h3-5,7-10H,2,6,11-15H2,1H3.
What are the key properties of 2-(2-ethylbenzimidazol-1-yl)-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone?
2-(2-ethylbenzimidazol-1-yl)-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone has a molecular weight of 364.45 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbenzimidazol-1-yl)-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone is sourced from PubChem (CID 136524686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).