[(Z)-2-(3-methyl-1,2-dihydrobenzimidazol-2-yl)-1-phenylethenyl] (E)-but-2-enoate

C20H20N2O2 — CID 142205996

IUPAC[(Z)-2-(3-methyl-1,2-dihydrobenzimidazol-2-yl)-1-phenylethenyl] (E)-but-2-enoate
SMILESC/C=C/C(=O)O/C(=C\C1Nc2ccccc2N1C)c1ccccc1
InChIInChI=1S/C20H20N2O2/c1-3-9-20(23)24-18(15-10-5-4-6-11-15)14-19-21-16-12-7-8-13-17(16)22(19)2/h3-14,19,21H,1-2H3/b9-3+,18-14-
InChIKeyAYPDZFCJXKQLLF-LVIXSLOYSA-N
MW320.39 g/mol
LogP4.03
Rot. Bonds4

About [(Z)-2-(3-methyl-1,2-dihydrobenzimidazol-2-yl)-1-phenylethenyl] (E)-but-2-enoate

[(Z)-2-(3-methyl-1,2-dihydrobenzimidazol-2-yl)-1-phenylethenyl] (E)-but-2-enoate (PubChem CID 142205996) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is [(Z)-2-(3-methyl-1,2-dihydrobenzimidazol-2-yl)-1-phenylethenyl] (E)-but-2-enoate.

Molecular Properties

Compound Name[(Z)-2-(3-methyl-1,2-dihydrobenzimidazol-2-yl)-1-phenylethenyl] (E)-but-2-enoate
PubChem CID142205996
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name[(Z)-2-(3-methyl-1,2-dihydrobenzimidazol-2-yl)-1-phenylethenyl] (E)-but-2-enoate
SMILESC/C=C/C(=O)O/C(=C\C1Nc2ccccc2N1C)c1ccccc1
InChIInChI=1S/C20H20N2O2/c1-3-9-20(23)24-18(15-10-5-4-6-11-15)14-19-21-16-12-7-8-13-17(16)22(19)2/h3-14,19,21H,1-2H3/b9-3+,18-14-
InChIKeyAYPDZFCJXKQLLF-LVIXSLOYSA-N
XLogP4.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(E)-but-2-enoyl] benzoate
CID 87397529
1-phenylethenyl but-2-enoate
CID 68623165
(2S)-2,3-dimethyl-1,2-dihydrobenzimidazole
CID 134369206
1,2-diphenylethenyl 3-phenylprop-2-enoate
CID 90922275
1-(2-methyl-3H-benzotriazol-1-yl)ethanone
CID 148506661
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
CID 6213330
but-2-enoyl 3-bromobenzoate
CID 91080550
3-methyl-2-propan-2-yl-1,2-dihydrobenzimidazole
CID 130205094
(2E,4E,5Z)-4-ethylidene-1-phenylhepta-2,5-dien-1-one
CID 143297607
ethene;N-[(2E,4Z)-hexa-2,4-dien-3-yl]benzamide
CID 142217510
phenyl-[2-(3,4,5-trimethoxyphenyl)-2,3-dihydrobenzimidazol-1-yl]methanone
CID 23735368
[(Z)-2-(oxan-2-yl)-1-phenylethenyl] acetate
CID 24938472

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-(3-methyl-1,2-dihydrobenzimidazol-2-yl)-1-phenylethenyl] (E)-but-2-enoate?
The IUPAC name of [(Z)-2-(3-methyl-1,2-dihydrobenzimidazol-2-yl)-1-phenylethenyl] (E)-but-2-enoate (CID 142205996) is [(Z)-2-(3-methyl-1,2-dihydrobenzimidazol-2-yl)-1-phenylethenyl] (E)-but-2-enoate.
What is the SMILES notation for [(Z)-2-(3-methyl-1,2-dihydrobenzimidazol-2-yl)-1-phenylethenyl] (E)-but-2-enoate?
The canonical SMILES for [(Z)-2-(3-methyl-1,2-dihydrobenzimidazol-2-yl)-1-phenylethenyl] (E)-but-2-enoate is C/C=C/C(=O)O/C(=C\C1Nc2ccccc2N1C)c1ccccc1.
What is the InChIKey of [(Z)-2-(3-methyl-1,2-dihydrobenzimidazol-2-yl)-1-phenylethenyl] (E)-but-2-enoate?
The InChIKey is AYPDZFCJXKQLLF-LVIXSLOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-9-20(23)24-18(15-10-5-4-6-11-15)14-19-21-16-12-7-8-13-17(16)22(19)2/h3-14,19,21H,1-2H3/b9-3+,18-14-.
What are the key properties of [(Z)-2-(3-methyl-1,2-dihydrobenzimidazol-2-yl)-1-phenylethenyl] (E)-but-2-enoate?
[(Z)-2-(3-methyl-1,2-dihydrobenzimidazol-2-yl)-1-phenylethenyl] (E)-but-2-enoate has a molecular weight of 320.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-(3-methyl-1,2-dihydrobenzimidazol-2-yl)-1-phenylethenyl] (E)-but-2-enoate is sourced from PubChem (CID 142205996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).