1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate

C20H24N4O2 — CID 139069013

IUPAC1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate
SMILESCCn1c(/C=C/c2nc3ccccc3n2CC)nc2ccccc21.O.O
InChIInChI=1S/C20H20N4.2H2O/c1-3-23-17-11-7-5-9-15(17)21-19(23)13-14-20-22-16-10-6-8-12-18(16)24(20)4-2;;/h5-14H,3-4H2,1-2H3;2*1H2/b14-13+;;
InChIKeyLPKQXDMZMJFSNE-QDBORUFSSA-N
MW352.44 g/mol
LogP2.95
Rot. Bonds4

About 1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate

1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate (PubChem CID 139069013) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate.

Molecular Properties

Compound Name1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate
PubChem CID139069013
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate
SMILESCCn1c(/C=C/c2nc3ccccc3n2CC)nc2ccccc21.O.O
InChIInChI=1S/C20H20N4.2H2O/c1-3-23-17-11-7-5-9-15(17)21-19(23)13-14-20-22-16-10-6-8-12-18(16)24(20)4-2;;/h5-14H,3-4H2,1-2H3;2*1H2/b14-13+;;
InChIKeyLPKQXDMZMJFSNE-QDBORUFSSA-N
XLogP2.95
TPSA98.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]benzimidazole
CID 6489920
1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 2919944
(NE)-N-[(1-ethylbenzimidazol-2-yl)methylidene]hydroxylamine
CID 136636081
1-butyl-2-(2-phenylethenyl)benzimidazole
CID 2896888
N-benzyl-1-(1-ethylbenzimidazol-2-yl)methanimine
CID 921503
1-pentyl-2-(2-phenylethenyl)benzimidazole
CID 3761593
1-octadecyl-2-(2-phenylethenyl)benzimidazole
CID 4153645
2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetonitrile
CID 82144934
2-[2-[(E)-2-(4-methylphenyl)ethenyl]benzimidazol-1-yl]acetonitrile
CID 82144945
N,N-dimethyl-4-[2-(1-propylbenzimidazol-2-yl)ethenyl]aniline
CID 78505875
1-[[4-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]phenyl]methyl]-3-methylpyrrolidin-2-one
CID 151429243
2-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-methylpropyl)benzimidazole
CID 157188103

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate?
The IUPAC name of 1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate (CID 139069013) is 1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate.
What is the SMILES notation for 1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate?
The canonical SMILES for 1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate is CCn1c(/C=C/c2nc3ccccc3n2CC)nc2ccccc21.O.O.
What is the InChIKey of 1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate?
The InChIKey is LPKQXDMZMJFSNE-QDBORUFSSA-N. The full InChI is InChI=1S/C20H20N4.2H2O/c1-3-23-17-11-7-5-9-15(17)21-19(23)13-14-20-22-16-10-6-8-12-18(16)24(20)4-2;;/h5-14H,3-4H2,1-2H3;2*1H2/b14-13+;;.
What are the key properties of 1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate?
1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate has a molecular weight of 352.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate is sourced from PubChem (CID 139069013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).