1-[[4-(1-methoxyethenyl)phenyl]methyl]benzimidazole

C17H16N2O — CID 143780945

IUPAC1-[[4-(1-methoxyethenyl)phenyl]methyl]benzimidazole
SMILESC=C(OC)c1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C17H16N2O/c1-13(20-2)15-9-7-14(8-10-15)11-19-12-18-16-5-3-4-6-17(16)19/h3-10,12H,1,11H2,2H3
InChIKeyFTNAPBAVMAJGCZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.70
Rot. Bonds4

About 1-[[4-(1-methoxyethenyl)phenyl]methyl]benzimidazole

1-[[4-(1-methoxyethenyl)phenyl]methyl]benzimidazole (PubChem CID 143780945) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[[4-(1-methoxyethenyl)phenyl]methyl]benzimidazole.

Molecular Properties

Compound Name1-[[4-(1-methoxyethenyl)phenyl]methyl]benzimidazole
PubChem CID143780945
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name1-[[4-(1-methoxyethenyl)phenyl]methyl]benzimidazole
SMILESC=C(OC)c1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C17H16N2O/c1-13(20-2)15-9-7-14(8-10-15)11-19-12-18-16-5-3-4-6-17(16)19/h3-10,12H,1,11H2,2H3
InChIKeyFTNAPBAVMAJGCZ-UHFFFAOYSA-N
XLogP3.70
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 62447048
4-(benzimidazol-1-ylmethyl)benzenecarboximidamide
CID 24694539
5-(benzimidazol-1-ylmethyl)-N-methylpyridin-2-amine
CID 62207288
1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazole
CID 40698685
1-[(3,5-dichlorophenyl)methyl]benzimidazole
CID 150699532
[4-(benzimidazol-1-ylmethyl)phenoxy]-phenylborinic acid
CID 166027355
3-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 48962776
O-methyl 2-(benzimidazol-1-yl)ethanethioate
CID 88781568
4-(benzimidazol-1-ylmethyl)benzoic acid;methyl 2-amino-3-hydroxybutanoate;methyl 2-[[4-(benzimidazol-1-ylmethyl)benzoyl]amino]-3-hydroxybutanoate
CID 158681061
2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine
CID 111089215
1-(benzimidazol-1-yl)-3-methylbut-3-en-2-ol
CID 105110467

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1-methoxyethenyl)phenyl]methyl]benzimidazole?
The IUPAC name of 1-[[4-(1-methoxyethenyl)phenyl]methyl]benzimidazole (CID 143780945) is 1-[[4-(1-methoxyethenyl)phenyl]methyl]benzimidazole.
What is the SMILES notation for 1-[[4-(1-methoxyethenyl)phenyl]methyl]benzimidazole?
The canonical SMILES for 1-[[4-(1-methoxyethenyl)phenyl]methyl]benzimidazole is C=C(OC)c1ccc(Cn2cnc3ccccc32)cc1.
What is the InChIKey of 1-[[4-(1-methoxyethenyl)phenyl]methyl]benzimidazole?
The InChIKey is FTNAPBAVMAJGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-13(20-2)15-9-7-14(8-10-15)11-19-12-18-16-5-3-4-6-17(16)19/h3-10,12H,1,11H2,2H3.
What are the key properties of 1-[[4-(1-methoxyethenyl)phenyl]methyl]benzimidazole?
1-[[4-(1-methoxyethenyl)phenyl]methyl]benzimidazole has a molecular weight of 264.33 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1-methoxyethenyl)phenyl]methyl]benzimidazole is sourced from PubChem (CID 143780945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).