1H-benzimidazole;1-benzyl-3-prop-2-enylbenzene

C23H22N2 — CID 174817952

IUPAC1H-benzimidazole;1-benzyl-3-prop-2-enylbenzene
SMILESC=CCc1cccc(Cc2ccccc2)c1.c1ccc2[nH]cnc2c1
InChIInChI=1S/C16H16.C7H6N2/c1-2-7-14-10-6-11-16(12-14)13-15-8-4-3-5-9-15;1-2-4-7-6(3-1)8-5-9-7/h2-6,8-12H,1,7,13H2;1-5H,(H,8,9)
InChIKeyNOXDVIXDJOVYRW-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.57
Rot. Bonds4

About 1H-benzimidazole;1-benzyl-3-prop-2-enylbenzene

1H-benzimidazole;1-benzyl-3-prop-2-enylbenzene (PubChem CID 174817952) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1H-benzimidazole;1-benzyl-3-prop-2-enylbenzene.

Molecular Properties

Compound Name1H-benzimidazole;1-benzyl-3-prop-2-enylbenzene
PubChem CID174817952
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC Name1H-benzimidazole;1-benzyl-3-prop-2-enylbenzene
SMILESC=CCc1cccc(Cc2ccccc2)c1.c1ccc2[nH]cnc2c1
InChIInChI=1S/C16H16.C7H6N2/c1-2-7-14-10-6-11-16(12-14)13-15-8-4-3-5-9-15;1-2-4-7-6(3-1)8-5-9-7/h2-6,8-12H,1,7,13H2;1-5H,(H,8,9)
InChIKeyNOXDVIXDJOVYRW-UHFFFAOYSA-N
XLogP5.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1H-benzimidazole;manganese
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1H-benzimidazole;zinc
CID 162235320
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CID 159500530
calcium;1H-benzimidazole;hydride
CID 174891856
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CID 129097298
bis(1H-benzimidazole);dichlorocopper
CID 11984972
1H-benzimidazole;ethane;molecular hydrogen
CID 142113314
1H-benzimidazole;1,2-diphenylbenzene
CID 174973053
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CID 174937670

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1-benzyl-3-prop-2-enylbenzene?
The IUPAC name of 1H-benzimidazole;1-benzyl-3-prop-2-enylbenzene (CID 174817952) is 1H-benzimidazole;1-benzyl-3-prop-2-enylbenzene.
What is the SMILES notation for 1H-benzimidazole;1-benzyl-3-prop-2-enylbenzene?
The canonical SMILES for 1H-benzimidazole;1-benzyl-3-prop-2-enylbenzene is C=CCc1cccc(Cc2ccccc2)c1.c1ccc2[nH]cnc2c1.
What is the InChIKey of 1H-benzimidazole;1-benzyl-3-prop-2-enylbenzene?
The InChIKey is NOXDVIXDJOVYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16.C7H6N2/c1-2-7-14-10-6-11-16(12-14)13-15-8-4-3-5-9-15;1-2-4-7-6(3-1)8-5-9-7/h2-6,8-12H,1,7,13H2;1-5H,(H,8,9).
What are the key properties of 1H-benzimidazole;1-benzyl-3-prop-2-enylbenzene?
1H-benzimidazole;1-benzyl-3-prop-2-enylbenzene has a molecular weight of 326.44 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1-benzyl-3-prop-2-enylbenzene is sourced from PubChem (CID 174817952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).