5-[3-(3-methoxyphenyl)prop-2-enoyl]-1,3-dihydrobenzimidazol-2-one

C17H14N2O3 — CID 154760186

IUPAC5-[3-(3-methoxyphenyl)prop-2-enoyl]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1cccc(C=CC(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C17H14N2O3/c1-22-13-4-2-3-11(9-13)5-8-16(20)12-6-7-14-15(10-12)19-17(21)18-14/h2-10H,1H3,(H2,18,19,21)
InChIKeyNPQQVMPWKDRYHD-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.76
Rot. Bonds4

About 5-[3-(3-methoxyphenyl)prop-2-enoyl]-1,3-dihydrobenzimidazol-2-one

5-[3-(3-methoxyphenyl)prop-2-enoyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 154760186) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-[3-(3-methoxyphenyl)prop-2-enoyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[3-(3-methoxyphenyl)prop-2-enoyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID154760186
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name5-[3-(3-methoxyphenyl)prop-2-enoyl]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1cccc(C=CC(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C17H14N2O3/c1-22-13-4-2-3-11(9-13)5-8-16(20)12-6-7-14-15(10-12)19-17(21)18-14/h2-10H,1H3,(H2,18,19,21)
InChIKeyNPQQVMPWKDRYHD-UHFFFAOYSA-N
XLogP2.76
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 92913082
(E)-3-(3-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12632556
(E)-1-(4-fluoro-3-methylphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 39369358
[4-[3-(3-methoxyphenyl)prop-2-enoyl]phenyl] 4-methoxybenzoate
CID 3494985
(E)-1-(4-ethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 5346015
3-(3-ethoxyphenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 75890323
(E)-3-[3-(2-methoxyethoxy)phenyl]-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one
CID 52683145
3-(4-fluorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 2880774
5-[(E)-3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-enoyl]-1,3-dihydrobenzimidazol-2-one
CID 17474848
1-[4-(4-bromobutoxy)phenyl]-3-(3-methoxyphenyl)prop-2-en-1-one
CID 168866675
1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 135304981
1-(3-methoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
CID 5105383

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-methoxyphenyl)prop-2-enoyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[3-(3-methoxyphenyl)prop-2-enoyl]-1,3-dihydrobenzimidazol-2-one (CID 154760186) is 5-[3-(3-methoxyphenyl)prop-2-enoyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[3-(3-methoxyphenyl)prop-2-enoyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[3-(3-methoxyphenyl)prop-2-enoyl]-1,3-dihydrobenzimidazol-2-one is COc1cccc(C=CC(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1.
What is the InChIKey of 5-[3-(3-methoxyphenyl)prop-2-enoyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is NPQQVMPWKDRYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-22-13-4-2-3-11(9-13)5-8-16(20)12-6-7-14-15(10-12)19-17(21)18-14/h2-10H,1H3,(H2,18,19,21).
What are the key properties of 5-[3-(3-methoxyphenyl)prop-2-enoyl]-1,3-dihydrobenzimidazol-2-one?
5-[3-(3-methoxyphenyl)prop-2-enoyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 294.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-methoxyphenyl)prop-2-enoyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 154760186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).