(E)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one

C18H16N2O3 — CID 51059619

IUPAC(E)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2nc3ccc(OC)cc3[nH]2)cc1
InChIInChI=1S/C18H16N2O3/c1-22-13-6-3-12(4-7-13)5-10-17(21)18-19-15-9-8-14(23-2)11-16(15)20-18/h3-11H,1-2H3,(H,19,20)/b10-5+
InChIKeyGROUZFZBRVMMAC-BJMVGYQFSA-N
MW308.34 g/mol
LogP3.48
Rot. Bonds5

About (E)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one

(E)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one (PubChem CID 51059619) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (E)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
PubChem CID51059619
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(E)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2nc3ccc(OC)cc3[nH]2)cc1
InChIInChI=1S/C18H16N2O3/c1-22-13-6-3-12(4-7-13)5-10-17(21)18-19-15-9-8-14(23-2)11-16(15)20-18/h3-11H,1-2H3,(H,19,20)/b10-5+
InChIKeyGROUZFZBRVMMAC-BJMVGYQFSA-N
XLogP3.48
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-methoxyphenyl)-1-[3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 6153080
[(E,2Z)-2-(aminomethylidene)-4-(6-amino-3-pyridinyl)-1-(6-methoxy-1H-benzimidazol-2-yl)but-3-enylidene]azanium
CID 143659014
(E)-3-(4-methoxyphenyl)-1-[5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-pyridinyl]prop-2-en-1-one
CID 10453539
4-[3-(1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]-N-(2-methoxyphenyl)benzamide
CID 174993787
(E)-1-(1H-benzimidazol-2-yl)-3-(3,4-dichlorophenyl)prop-2-en-1-one
CID 10591544
(Z)-3-(4-bromophenyl)-2-(6-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile
CID 126395590
N-butyl-6-methoxy-1H-benzimidazole-2-carboxamide
CID 69198696
2-[1,2-dihydroxy-2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazole-5-carbaldehyde
CID 21026309
(E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 5378566
(E)-1-(5-acetyl-2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 6447960
N-(furan-2-yl)-4-[3-(6-methyl-1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]benzamide
CID 156700159
2-tert-butyl-6-methoxy-1H-benzimidazole
CID 58861925

Frequently Asked Questions

What is the IUPAC name of (E)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one (CID 51059619) is (E)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one is COc1ccc(/C=C/C(=O)c2nc3ccc(OC)cc3[nH]2)cc1.
What is the InChIKey of (E)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The InChIKey is GROUZFZBRVMMAC-BJMVGYQFSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-22-13-6-3-12(4-7-13)5-10-17(21)18-19-15-9-8-14(23-2)11-16(15)20-18/h3-11H,1-2H3,(H,19,20)/b10-5+.
What are the key properties of (E)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one?
(E)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one has a molecular weight of 308.34 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 51059619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).