6-methyl-1-prop-2-enyl-3a,4-dihydrobenzimidazole

C11H14N2 — CID 146593647

IUPAC6-methyl-1-prop-2-enyl-3a,4-dihydrobenzimidazole
SMILESC=CCN1C=NC2CC=C(C)C=C21
InChIInChI=1S/C11H14N2/c1-3-6-13-8-12-10-5-4-9(2)7-11(10)13/h3-4,7-8,10H,1,5-6H2,2H3
InChIKeyHEIPXTBPRTZPFT-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.12
Rot. Bonds2

About 6-methyl-1-prop-2-enyl-3a,4-dihydrobenzimidazole

6-methyl-1-prop-2-enyl-3a,4-dihydrobenzimidazole (PubChem CID 146593647) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 6-methyl-1-prop-2-enyl-3a,4-dihydrobenzimidazole.

Molecular Properties

Compound Name6-methyl-1-prop-2-enyl-3a,4-dihydrobenzimidazole
PubChem CID146593647
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name6-methyl-1-prop-2-enyl-3a,4-dihydrobenzimidazole
SMILESC=CCN1C=NC2CC=C(C)C=C21
InChIInChI=1S/C11H14N2/c1-3-6-13-8-12-10-5-4-9(2)7-11(10)13/h3-4,7-8,10H,1,5-6H2,2H3
InChIKeyHEIPXTBPRTZPFT-UHFFFAOYSA-N
XLogP2.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.12
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 6-methyl-1-prop-2-enyl-3a,4-dihydrobenzimidazole?
The IUPAC name of 6-methyl-1-prop-2-enyl-3a,4-dihydrobenzimidazole (CID 146593647) is 6-methyl-1-prop-2-enyl-3a,4-dihydrobenzimidazole.
What is the SMILES notation for 6-methyl-1-prop-2-enyl-3a,4-dihydrobenzimidazole?
The canonical SMILES for 6-methyl-1-prop-2-enyl-3a,4-dihydrobenzimidazole is C=CCN1C=NC2CC=C(C)C=C21.
What is the InChIKey of 6-methyl-1-prop-2-enyl-3a,4-dihydrobenzimidazole?
The InChIKey is HEIPXTBPRTZPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-3-6-13-8-12-10-5-4-9(2)7-11(10)13/h3-4,7-8,10H,1,5-6H2,2H3.
What are the key properties of 6-methyl-1-prop-2-enyl-3a,4-dihydrobenzimidazole?
6-methyl-1-prop-2-enyl-3a,4-dihydrobenzimidazole has a molecular weight of 174.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-prop-2-enyl-3a,4-dihydrobenzimidazole is sourced from PubChem (CID 146593647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).