(E)-3-(4-methoxyphenyl)-N-(1-methylbenzimidazol-2-yl)prop-2-enamide

C18H17N3O2 — CID 873082

IUPAC(E)-3-(4-methoxyphenyl)-N-(1-methylbenzimidazol-2-yl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2nc3ccccc3n2C)cc1
InChIInChI=1S/C18H17N3O2/c1-21-16-6-4-3-5-15(16)19-18(21)20-17(22)12-9-13-7-10-14(23-2)11-8-13/h3-12H,1-2H3,(H,19,20,22)/b12-9+
InChIKeyBADBVSYRNSVTIY-FMIVXFBMSA-N
MW307.35 g/mol
LogP3.23
Rot. Bonds4

About (E)-3-(4-methoxyphenyl)-N-(1-methylbenzimidazol-2-yl)prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-(1-methylbenzimidazol-2-yl)prop-2-enamide (PubChem CID 873082) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-(1-methylbenzimidazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-(1-methylbenzimidazol-2-yl)prop-2-enamide
PubChem CID873082
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(E)-3-(4-methoxyphenyl)-N-(1-methylbenzimidazol-2-yl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2nc3ccccc3n2C)cc1
InChIInChI=1S/C18H17N3O2/c1-21-16-6-4-3-5-15(16)19-18(21)20-17(22)12-9-13-7-10-14(23-2)11-8-13/h3-12H,1-2H3,(H,19,20,22)/b12-9+
InChIKeyBADBVSYRNSVTIY-FMIVXFBMSA-N
XLogP3.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.23
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-(1-methylbenzimidazol-2-yl)prop-2-en-1-one
CID 5469982
1-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)urea
CID 35280532
(E)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 18209237
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
(E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 707164
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773591
N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 668253
3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 668259
(E)-3-(4-methoxyphenyl)-N-(2-methoxypyrimidin-5-yl)prop-2-enamide
CID 122301600
(E)-N-hydroxy-3-[4-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]sulfanylmethyl]phenyl]prop-2-enamide
CID 177378852

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-(1-methylbenzimidazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-(1-methylbenzimidazol-2-yl)prop-2-enamide (CID 873082) is (E)-3-(4-methoxyphenyl)-N-(1-methylbenzimidazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-(1-methylbenzimidazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-(1-methylbenzimidazol-2-yl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2nc3ccccc3n2C)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-(1-methylbenzimidazol-2-yl)prop-2-enamide?
The InChIKey is BADBVSYRNSVTIY-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-21-16-6-4-3-5-15(16)19-18(21)20-17(22)12-9-13-7-10-14(23-2)11-8-13/h3-12H,1-2H3,(H,19,20,22)/b12-9+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-(1-methylbenzimidazol-2-yl)prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-(1-methylbenzimidazol-2-yl)prop-2-enamide has a molecular weight of 307.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-(1-methylbenzimidazol-2-yl)prop-2-enamide is sourced from PubChem (CID 873082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).