(1E,4E)-1,5-bis(1-ethylbenzimidazol-2-yl)penta-1,4-dien-3-one

C23H22N4O — CID 122177412

IUPAC(1E,4E)-1,5-bis(1-ethylbenzimidazol-2-yl)penta-1,4-dien-3-one
SMILESCCn1c(/C=C/C(=O)/C=C/c2nc3ccccc3n2CC)nc2ccccc21
InChIInChI=1S/C23H22N4O/c1-3-26-20-11-7-5-9-18(20)24-22(26)15-13-17(28)14-16-23-25-19-10-6-8-12-21(19)27(23)4-2/h5-16H,3-4H2,1-2H3/b15-13+,16-14+
InChIKeyIMJOANQWBCJJFP-WXUKJITCSA-N
MW370.46 g/mol
LogP4.72
Rot. Bonds6

About (1E,4E)-1,5-bis(1-ethylbenzimidazol-2-yl)penta-1,4-dien-3-one

(1E,4E)-1,5-bis(1-ethylbenzimidazol-2-yl)penta-1,4-dien-3-one (PubChem CID 122177412) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is (1E,4E)-1,5-bis(1-ethylbenzimidazol-2-yl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1,5-bis(1-ethylbenzimidazol-2-yl)penta-1,4-dien-3-one
PubChem CID122177412
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name(1E,4E)-1,5-bis(1-ethylbenzimidazol-2-yl)penta-1,4-dien-3-one
SMILESCCn1c(/C=C/C(=O)/C=C/c2nc3ccccc3n2CC)nc2ccccc21
InChIInChI=1S/C23H22N4O/c1-3-26-20-11-7-5-9-18(20)24-22(26)15-13-17(28)14-16-23-25-19-10-6-8-12-21(19)27(23)4-2/h5-16H,3-4H2,1-2H3/b15-13+,16-14+
InChIKeyIMJOANQWBCJJFP-WXUKJITCSA-N
XLogP4.72
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-Methyl-1H-benzimidazol-2-yl)ethanone
CID 799601
1,2-Dimethylbenzimidazole
CID 312693
1-Ethyl-2-methylbenzimidazole
CID 22054
PF-06284674
CID 71624854
2,3-Dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 82179
2-(1h-Benzimidazol-1-Ylmethyl)-4h-Pyrido[1,2-A]pyrimidin-4-One
CID 73350476
1-(1-phenethyl-1H-1,3-benzimidazol-2-yl)-1-ethanone
CID 3748671
1-(2-Dimethylamino-ethyl)-1H-benzoimidazol-2-ylamine
CID 745066
2-Amino-3-(1-methylbenzimidazol-2-yl)-1-phenyl-2-pyrrolin-4-one
CID 135467314
1-(2-Methylprop-2-enyl)-2-phenylbenzimidazole
CID 881644
N-[(1-benzyl-1H-benzimidazol-2-yl)methyl]-1-[2-(diethylamino)ethyl]-1H-benzimidazol-2-amine
CID 1253120
3-(2-methyl-1H-1,3-benzodiazol-1-yl)propanamide
CID 225773

Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1,5-bis(1-ethylbenzimidazol-2-yl)penta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1,5-bis(1-ethylbenzimidazol-2-yl)penta-1,4-dien-3-one (CID 122177412) is (1E,4E)-1,5-bis(1-ethylbenzimidazol-2-yl)penta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1,5-bis(1-ethylbenzimidazol-2-yl)penta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1,5-bis(1-ethylbenzimidazol-2-yl)penta-1,4-dien-3-one is CCn1c(/C=C/C(=O)/C=C/c2nc3ccccc3n2CC)nc2ccccc21.
What is the InChIKey of (1E,4E)-1,5-bis(1-ethylbenzimidazol-2-yl)penta-1,4-dien-3-one?
The InChIKey is IMJOANQWBCJJFP-WXUKJITCSA-N. The full InChI is InChI=1S/C23H22N4O/c1-3-26-20-11-7-5-9-18(20)24-22(26)15-13-17(28)14-16-23-25-19-10-6-8-12-21(19)27(23)4-2/h5-16H,3-4H2,1-2H3/b15-13+,16-14+.
What are the key properties of (1E,4E)-1,5-bis(1-ethylbenzimidazol-2-yl)penta-1,4-dien-3-one?
(1E,4E)-1,5-bis(1-ethylbenzimidazol-2-yl)penta-1,4-dien-3-one has a molecular weight of 370.46 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1,5-bis(1-ethylbenzimidazol-2-yl)penta-1,4-dien-3-one is sourced from PubChem (CID 122177412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).