2-methyl-1,3-bis(prop-2-enyl)-2H-benzimidazole

C14H18N2 — CID 90703789

IUPAC2-methyl-1,3-bis(prop-2-enyl)-2H-benzimidazole
SMILESC=CCN1c2ccccc2N(CC=C)C1C
InChIInChI=1S/C14H18N2/c1-4-10-15-12(3)16(11-5-2)14-9-7-6-8-13(14)15/h4-9,12H,1-2,10-11H2,3H3
InChIKeyOFFYQQMNNKHDHL-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.03
Rot. Bonds4

About 2-methyl-1,3-bis(prop-2-enyl)-2H-benzimidazole

2-methyl-1,3-bis(prop-2-enyl)-2H-benzimidazole (PubChem CID 90703789) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-methyl-1,3-bis(prop-2-enyl)-2H-benzimidazole.

Molecular Properties

Compound Name2-methyl-1,3-bis(prop-2-enyl)-2H-benzimidazole
PubChem CID90703789
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-methyl-1,3-bis(prop-2-enyl)-2H-benzimidazole
SMILESC=CCN1c2ccccc2N(CC=C)C1C
InChIInChI=1S/C14H18N2/c1-4-10-15-12(3)16(11-5-2)14-9-7-6-8-13(14)15/h4-9,12H,1-2,10-11H2,3H3
InChIKeyOFFYQQMNNKHDHL-UHFFFAOYSA-N
XLogP3.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-bis(prop-2-enyl)-2H-benzimidazole?
The IUPAC name of 2-methyl-1,3-bis(prop-2-enyl)-2H-benzimidazole (CID 90703789) is 2-methyl-1,3-bis(prop-2-enyl)-2H-benzimidazole.
What is the SMILES notation for 2-methyl-1,3-bis(prop-2-enyl)-2H-benzimidazole?
The canonical SMILES for 2-methyl-1,3-bis(prop-2-enyl)-2H-benzimidazole is C=CCN1c2ccccc2N(CC=C)C1C.
What is the InChIKey of 2-methyl-1,3-bis(prop-2-enyl)-2H-benzimidazole?
The InChIKey is OFFYQQMNNKHDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-4-10-15-12(3)16(11-5-2)14-9-7-6-8-13(14)15/h4-9,12H,1-2,10-11H2,3H3.
What are the key properties of 2-methyl-1,3-bis(prop-2-enyl)-2H-benzimidazole?
2-methyl-1,3-bis(prop-2-enyl)-2H-benzimidazole has a molecular weight of 214.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-bis(prop-2-enyl)-2H-benzimidazole is sourced from PubChem (CID 90703789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).